chempirical

2-Pyridineacetonitrile

C7H6N2CAS 2739-97-1118.14 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
23–25.5 °C
Boiling point
80–85 °C (at 0.5 Torr)
logP
1.15Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2739-97-1
SMILES
N#CCc1ccccn1
InChIKey
UKVQBONVSSLJBB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2

Weigh it out

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

Names and synonyms

6 names
  • 2-Pyridylacetonitrile
  • 2-(2-Pyridyl)acetonitrile
  • 2-(Cyanomethyl)pyridine
  • (2-Pyridinyl)acetonitrile
  • (Pyridyl-2-yl)acetonitrile
  • 2-(Pyridin-2-yl)acetonitrile

Work with 2-Pyridineacetonitrile

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-(3-Phenylpropyl)pyridine2110-18-152 % similar 2-Ethylpyridine100-71-050 % similar Dipicolylamine1539-42-050 % similar 2-Pyridinemethanethiol2044-73-750 % similar 5-Bromo-2-pyridineacetonitrile312325-72-750 % similar 2-Picolylamine3731-51-950 % similar 2-Chloromethylpyridine4377-33-750 % similar 2-Pyridinemethanol586-98-150 % 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 3-Aminobenzonitrile2237-30-1

Elsewhere

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