chempirical

3-Methylpyridine-2-carbonitrile

C7H6N2CAS 20970-75-6118.14 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Melting point
85–86 °C
Boiling point
120 °C (at 15 Torr)
logP
1.26Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20970-75-6
SMILES
Cc1cccnc1C#N
InChIKey
WBXZCDIZXWDPBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3

Weigh it out

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Names and synonyms

8 names
  • 3-Methyl-2-pyridinecarbonitrile
  • 2-Pyridinecarbonitrile, 3-methyl-
  • Picolinonitrile, 3-methyl-
  • 2-Cyano-3-methylpyridine
  • 3-Methylpicolinonitrile
  • 2-Cyano-3-picoline
  • 3-Methyl-2-cyanopyridine
  • 3-Methylpicolonitrile

Work with 3-Methylpyridine-2-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Iodopyridine-2-carbonitrile827616-52-460 % similar Pyridine-2,3-dicarbonitrile17132-78-459 % similar 3-Bromopyridine-2-carbonitrile55758-02-657 % similar 3-Chloropyridine-2-carbonitrile38180-46-055 % similar 3-Amino-2-pyridinecarbonitrile42242-11-555 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-455 % similar 3-Methyl-2-phenylpyridine10273-90-250 % similar 2,3-Dicyanopyrazine13481-25-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methylpyridine-2-carbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 4-Cyano-2-methylpyridine2214-53-1

Elsewhere

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