CompoundList
Sign in
Heterocyclic building blocks

Mallorepine

Also known as 1-methyl-4-oxopyridine-3-carbonitrile, 3-Cyano-1-methyl-4-pyridone, 3-Pyridinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-

CAS 767-98-6Formula C7H6N2OMolar mass 134.14 g/mol
Get quotes Safety data
Mallorepine chemical structure, C7H6N2O, CAS 767-98-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
767-98-6
Formula
C7H6N2O
Molar mass
134.14 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Mallorepine?

Plain description, key identifiers and synonyms

Mallorepine has been reported in Mallotus repandus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-4-oxopyridine-3-carbonitrile
CAS number
767-98-6 CAS number cross-checked
Molecular formula
C7H6N2O
MDL number
MFCD20275003
InChIKey
VVNHMAOQCMDJHT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c1-9-3-2-7(10)6(4-8)5-9/h2-3,5H,1H3
SMILES (canonical and isomeric)
CN1C=CC(=O)C(=C1)C#N

Synonyms

  • 1-methyl-4-oxopyridine-3-carbonitrile
  • 3-Cyano-1-methyl-4-pyridone
  • 3-Pyridinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-
  • 1-Methyl-4-oxo-1,4-dihydropyridine-3-carbonitrile
  • Nicotinonitrile, 1,4-dihydro-1-methyl-4-oxo- (7CI,8CI), 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarbonitrile
  • 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarbonitrile
  • Nicotinonitrile, 1,4-dihydro-1-methyl-4-oxo-
  • 1-methyl-3-cyano-4-pyridone
  • 1-methyl-4-oxo-pyridine-3-carbonitrile
  • 1-Methyl-4-oxo-1,4-dihydro-3-pyridinecarbonitrile #

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
134.14 g/molcalc.
Exact mass
134.048 Dacalc.
LogP (octanol/water)
0.26calc.
Topological polar surface area
45.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.14calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1cc[nH]cc1

O=c1cc[nH]cc1

1 ring, 7 atoms, the 4-Hydroxypyridine ring system.

2,433 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Mallorepine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Mallorepine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Mallorepine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mallorepine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Mallorepine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mallorepine, based on the data on this page

What is Mallorepine?

Mallorepine has been reported in Mallotus repandus.

What is the CAS number of Mallorepine?

The CAS registry number of Mallorepine is 767-98-6.

What is the molecular formula and weight of Mallorepine?

The molecular formula of Mallorepine is C7H6N2O and its molar mass is 134.14 g/mol.

What is Mallorepine used for?

Known uses and roles of Mallorepine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mallorepine hazardous?

No GHS hazard classification for Mallorepine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Mallorepine?

Mallorepine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mallorepine?

Post a free request on CompoundList and suppliers of Mallorepine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mallorepine?

Suppliers quote Mallorepine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mallorepine

Get quotes for Mallorepine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Mallorepine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Mallorepine with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/mallorepine-767-98-6" title="Mallorepine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293339

Price on request
Free quotes, contact stays private
Get quotes