chempirical

6-Chloro-2-pyrazinecarbonitrile

C5H2ClN3CAS 6863-74-7139.54 g/mol

Open in Covalent MOL file
NNClN
Aryl halideNitrile

Properties

Molecular formula
C5H2ClN3
Molar mass
139.54 g/mol
Exact mass
138.9937 Da
Melting point
24–26 °C
Boiling point
100–102 °C (at 12 Torr)
logP
1.00Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
6863-74-7
SMILES
N#Cc1cncc(Cl)n1
InChIKey
CZPOFSDHJNNWQL-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClN3/c6-5-3-8-2-4(1-7)9-5/h2-3H

Weigh it out

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

Names and synonyms

7 names
  • 2-Pyrazinecarbonitrile, 6-chloro-
  • Pyrazinecarbonitrile, 6-chloro-
  • 2-Cyano-6-chloropyrazine
  • 6-Chloro-2-cyanopyrazine
  • 2-Chloro-6-cyanopyrazine
  • 2-Chloro-6-pyrazinecarbonitrile
  • 6-Cyano-2-chloropyrazine

Work with 6-Chloro-2-pyrazinecarbonitrile

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

6-Chloro-2-pyridinecarbonitrile33252-29-855 % similar 2,6-Dichloropyrazine4774-14-554 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-345 % similar Pyrazinecarbonitrile19847-12-243 % similar 6-Chloro-2-pyrazinamine33332-28-443 % similar 2,6-Pyridinedicarbonitrile2893-33-643 % similar 6-Chloronicotinonitrile33252-28-739 % similar 2-Chloro-6-methoxypyrazine33332-30-839 % similar

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

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook