chempirical

3-Methyl-2-pyridinecarbonitrile

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

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

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 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-Methyl-2-pyridinecarbonitrile

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-Hydroxy-2-pyridinecarbonitrile932-35-455 % similar 3-Methyl-2-phenylpyridine10273-90-250 % similar 2,3-Lutidine583-61-948 % similar 2,6-Dimethylbenzonitrile6575-13-948 % similar 2-Fluoro-3-methylpyridine2369-18-847 % similar 4-Methyl-1H-indazole-3-carbonitrile29984-94-946 % similar 1-Isoquinolinecarbonitrile1198-30-745 % similar 2-Hydroxy-3-methylpyridine1003-56-145 % 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-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Aminobenzonitrile2237-30-1 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

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