chempirical

2-Methylpyridine-3-carbonitrile

C7H6N2CAS 1721-23-9118.14 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
logP
1.26Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1721-23-9
SMILES
CC1=C(C=CC=N1)C#N
InChIKey
UBKKNWJGYLSDSJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-7(5-8)3-2-4-9-6/h2-4H,1H3

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Names and synonyms

1 names
  • 3-Cyano-2-methylpyridine

Work with 2-Methylpyridine-3-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

2-Methoxy-3-pyridinecarbonitrile7254-34-459 % similar 3-Cyano-2-pyridone20577-27-955 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-755 % similar 2-Phenoxy-3-pyridinecarbonitrile14178-15-553 % similar 2,3-Lutidine583-61-948 % similar Phthalonitrile91-15-648 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-747 % similar 2-(2,2,2-Trifluoroethoxy)-3-pyridinecarbonitrile175277-89-146 % 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-Methyl-2-pyridinecarbonitrile20970-75-6 4-Cyano-2-methylpyridine2214-53-1

Elsewhere

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