chempirical

3,5-Dichloro-2-pyrazinecarbonitrile

C5HCl2N3CAS 313339-92-3173.98 g/mol

Open in Covalent MOL file
NNClNCl
Aryl halideNitrile

Properties

Molecular formula
C5HCl2N3
Molar mass
173.98 g/mol
Exact mass
172.9548 Da
logP
1.66Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
313339-92-3
SMILES
N#Cc1ncc(Cl)nc1Cl
InChIKey
SDTCGHLDTSGIRR-UHFFFAOYSA-N
InChI
InChI=1S/C5HCl2N3/c6-4-2-9-3(1-8)5(7)10-4/h2H

Weigh it out

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Names and synonyms

3 names
  • 2-Pyrazinecarbonitrile, 3,5-dichloro-
  • Pyrazinecarbonitrile, 3,5-dichloro-
  • 3,5-Dichloropyrazine-2-carbonitrile

Work with 3,5-Dichloro-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-pyrazinecarbonitrile6863-74-745 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-443 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-842 % similar 6-Chloronicotinonitrile33252-28-741 % similar 2-Chloroquinoxaline1448-87-939 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-337 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-937 % similar 6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook