chempirical

5-Cyano-2-methylpyridine

C7H6N2CAS 3222-48-8118.14 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

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
3222-48-8
SMILES
CC1=NC=C(C=C1)C#N
InChIKey
PBLOYQAQGYUPCM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3

Weigh it out

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Names and synonyms

1 names
  • 6-Methylpyridine-3-carbonitrile

Work with 5-Cyano-2-methylpyridine

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-559 % similar 2-Bromo-5-cyanopyridine139585-70-953 % similar 6-Chloronicotinonitrile33252-28-753 % similar 2-Fluoropyridine-5-carbonitrile3939-12-653 % similar 2-Methoxy-5-pyridinecarbonitrile15871-85-953 % similar 4-Cyano-2-methylpyridine2214-53-152 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-548 % similar 4-Methylbenzonitrile104-85-846 % 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-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6

Elsewhere

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