chempirical

3-Pyridineacetonitrile

C7H6N2CAS 6443-85-2118.14 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
99–100 °C
Boiling point
91 °C (at 2 Torr)
logP
1.15Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6443-85-2
SMILES
N#CCc1cccnc1
InChIKey
OIPHWUPMXHQWLR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2

Weigh it out

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

Names and synonyms

6 names
  • 3-Cyanomethylpyridine
  • 3-Pyridylacetonitrile
  • RG 84098
  • NSC 83226
  • Pyridin-3-ylacetonitrile
  • 2-(Pyridin-3-yl)acetonitrile

Work with 3-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

3-Benzylpyridine620-95-155 % similar 1,3-Benzenediacetonitrile626-22-254 % similar 3-Pyridinemethanol100-55-050 % similar 4-Benzylphenylacetonitrile101096-72-450 % similar 3-Pyridinemethanamine3731-52-050 % similar 3-Ethylpyridine536-78-750 % similar 1,4-Benzenediacetonitrile622-75-350 % similar 3-Pyridinepropanol2859-67-848 % 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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