chempirical

5-Methyl-2-pyridinecarbonitrile

C7H6N2CAS 1620-77-5118.14 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
72–74 °C
Boiling point
135–138 °C (at 28 Torr)
logP
1.26Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1620-77-5
SMILES
Cc1ccc(C#N)nc1
InChIKey
LIEQVZZZYLHNRH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Pyridinecarbonitrile, 5-methyl-
  • Picolinonitrile, 5-methyl-
  • 2-Cyano-5-methylpyridine
  • 5-Methyl-2-cyanopyridine
  • 5-Methylpicolinonitrile

Work with 5-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

5-Chloro-2-pyridinecarbonitrile89809-64-359 % similar 5,5′-Dimethyl-2,2′-bipyridine1762-34-148 % similar 4-Methylbenzonitrile104-85-846 % similar 2,5-Dimethylpyridine589-93-546 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-745 % similar 5-Methyl-2-phenylpyridine27012-22-244 % similar 2-Hydroxy-5-methylpyridine1003-68-543 % similar 2-Chloro-5-methylpyridine18368-64-443 % 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 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook