chempirical

2-Chloro-5-nitropyridine-3-carbonitrile

C6H2ClN3O2CAS 31309-08-7183.55 g/mol

Open in Covalent MOL file
NNClN+OO−
Aryl halideNitrileNitro

Properties

Molecular formula
C6H2ClN3O2
Molar mass
183.55 g/mol
Exact mass
182.9836 Da
logP
1.51Crippen estimate
Polar surface area
79.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
31309-08-7
SMILES
C1=C(C=NC(=C1C#N)Cl)[N+](=O)[O-]
InChIKey
CSDMFMSXIUTEFJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClN3O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H

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Names and synonyms

1 names
  • 2-Chloro-5-nitronicotinonitrile

Work with 2-Chloro-5-nitropyridine-3-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

2,3-Dichloro-5-nitropyridine22353-40-861 % similar 2-Chloro-3,5-dinitropyridine2578-45-261 % similar 2-Chloro-3-fluoro-5-nitropyridine1079179-12-657 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-457 % similar 3-Bromo-2-chloro-5-nitropyridine5470-17-757 % similar 2-Chloro-5-nitrobenzonitrile16588-02-656 % similar 4-Nitrophthalonitrile31643-49-954 % similar 2-Chloro-4-nitrobenzonitrile28163-00-052 % similar

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

Same formula

5-Chloro-3-nitropyridine-2-carbonitrile181123-11-5

Elsewhere

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