2,4-Pyridinedicarbonitrile

C7H3N3CAS 29181-50-8129.12 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C7H3N3
Molar mass
129.12 g/mol
Exact mass
129.0327 Da
Melting point
88–91 °C
logP
0.82Crippen estimate
Polar surface area
60.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
29181-50-8
SMILES
N#Cc1ccnc(C#N)c1
InChIKey
HLAGQMFURMNTLW-UHFFFAOYSA-N
InChI
InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • 2,4-Dicyanopyridine

Work with 2,4-Pyridinedicarbonitrile

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-Bromo-4-cyanopyridine10386-27-359 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-459 % similar 4-Chloro-2-cyanopyridine19235-89-359 % similar 4-Cyano-2-methylpyridine2214-53-159 % similar 2-Chloro-4-cyanopyridine33252-30-159 % similar 4-Cyano-2-fluoropyridine3939-14-859 % similar 2-Amino-4-cyanopyridine42182-27-459 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyridine-2,3-dicarbonitrile17132-78-4 2,6-Pyridinedicarbonitrile2893-33-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook