chempirical

4-Methyl-2-pyridinecarbonitrile

C7H6N2CAS 1620-76-4118.14 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
48–77 °C
Boiling point
88.5 °C (at 2 Torr)
logP
1.26Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1620-76-4
SMILES
Cc1ccnc(C#N)c1
InChIKey
LQAWSWUFSHYCHP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Pyridinecarbonitrile, 4-methyl-
  • Picolinonitrile, 4-methyl-
  • 2-Cyano-4-methylpyridine
  • 4-Methyl-2-cyanopyridine

Work with 4-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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 4-Chloro-2-cyanopyridine19235-89-355 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-255 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-650 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 2-Cyanopyridine100-70-948 % similar 2,4-Lutidine108-47-448 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-646 % 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 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

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