chempirical

2-Chloro-4-methyl-3-nitropyridine

C6H5ClN2O2CAS 23056-39-5172.57 g/mol

Open in Covalent MOL file
NClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
52–52.9 °C
logP
1.95Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
23056-39-5
SMILES
Cc1ccnc(Cl)c1[N+](=O)[O-]
InChIKey
JHARVUVBTAAPLA-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 2-chloro-4-methyl-3-nitro-
  • 4-Picoline, 2-chloro-3-nitro-
  • 2-Chloro-3-nitro-4-methylpyridine
  • NSC 402977

Work with 2-Chloro-4-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-Dimethylnitrobenzene81-20-958 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-256 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-054 % similar 2,3-Dinitrotoluene602-01-751 % similar 2-Chloro-3-nitropyridine5470-18-850 % similar 7-Methyl-8-nitroquinoline7471-63-850 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-250 % similar 3-Methyl-2-nitrophenol4920-77-849 % 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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