chempirical

2-Chloro-6-methyl-3-nitropyridine

C6H5ClN2O2CAS 56057-19-3172.57 g/mol

Open in Covalent MOL file
NN+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
logP
1.95Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
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
56057-19-3
SMILES
CC1=NC(=C(C=C1)[N+](=O)[O-])Cl
InChIKey
UIEVSGOVFXWCIK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3

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Names and synonyms

1 names
  • 2-Chloro-3-nitro-6-methylpyridine

Work with 2-Chloro-6-methyl-3-nitropyridine

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

2,6-Dimethyl-3-nitropyridine15513-52-765 % similar 2,6-Dichloro-3-nitropyridine16013-85-765 % similar 2-Fluoro-6-methyl-3-nitropyridine19346-45-361 % similar 2-Amino-3-nitro-6-picoline21901-29-161 % similar 2-Bromo-6-methyl-3-nitropyridine374633-31-561 % similar 2-Chloro-6-methoxy-3-nitropyridine38533-61-861 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-858 % similar 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-657 % similar

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

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

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