chempirical

3-Chloropyridazine-4-carbonitrile

C5H2ClN3CAS 1445-56-3139.54 g/mol

Open in Covalent MOL file
NNNCl
Aryl halideNitrile

Properties

Molecular formula
C5H2ClN3
Molar mass
139.54 g/mol
Exact mass
138.9937 Da
Melting point
41–42 °C
Boiling point
90 °C (at 0.15 Torr)
logP
1.00Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
1445-56-3
SMILES
N#Cc1ccnnc1Cl
InChIKey
GAQMHKPMJLFJPC-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClN3/c6-5-4(3-7)1-2-8-9-5/h1-2H

Weigh it out

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

Names and synonyms

3 names
  • 4-Pyridazinecarbonitrile, 3-chloro-
  • 3-Chloro-4-pyridazinecarbonitrile
  • 4-Cyano-3-chloropyridazine

Work with 3-Chloropyridazine-4-carbonitrile

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

3,4-Dichloropyridazine1677-80-148 % similar 2-Chloro-6-phenyl-3-pyridinecarbonitrile43083-14-344 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-041 % similar 2-Chlorobenzonitrile873-32-539 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-738 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-938 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-238 % similar 2-Chloro-5-iodo-3-pyridinecarbonitrile766515-34-838 % similar

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

Same formula

6-Chloro-2-pyrazinecarbonitrile6863-74-7

Elsewhere

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