chempirical

Pyridine-2,3-dicarbonitrile

C7H3N3CAS 17132-78-4129.12 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C7H3N3
Molar mass
129.12 g/mol
Exact mass
129.0327 Da
logP
0.82Crippen estimate
Polar surface area
60.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17132-78-4
SMILES
C1=CC(=C(N=C1)C#N)C#N
InChIKey
GHFGOVUYCKZOJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H3N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • 2,3-Dicyanopyridine

Work with Pyridine-2,3-dicarbonitrile

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-Bromopyridine-2-carbonitrile55758-02-661 % similar 2-Methylpyridine-3-carbonitrile1721-23-959 % similar 2-Bromopyridine-3-carbonitrile20577-26-859 % similar 3-Cyano-2-pyridone20577-27-959 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-659 % similar 2-Amino-3-cyanopyridine24517-64-459 % similar 3-Chloropyridine-2-carbonitrile38180-46-059 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Pyridinedicarbonitrile2893-33-6 2,4-Pyridinedicarbonitrile29181-50-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook