chempirical

6-Chloro-2-methyl-3-nitropyridine

C6H5ClN2O2CAS 22280-60-0172.57 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
54–55 °C
logP
1.95Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
22280-60-0
SMILES
Cc1nc(Cl)ccc1[N+](=O)[O-]
InChIKey
GHSRMSJVYMITDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Pyridine, 6-chloro-2-methyl-3-nitro-
  • 2-Picoline, 6-chloro-3-nitro-
  • 2-Chloro-5-nitro-6-methylpyridine
  • 2-Chloro-6-methyl-5-nitropyridine
  • 3-Nitro-6-chloro-2-picoline
  • 6-Chloro-3-nitro-2-picoline
  • NSC 75592
  • 2-Chloro-5-nitro-6-picoline

Work with 6-Chloro-2-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 6-Bromo-2-methyl-3-nitropyridine22282-96-861 % similar 2-Amino-6-chloro-3-nitropyridine27048-04-061 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-751 % similar 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-251 % similar 2-Chloro-5-nitropyridine4548-45-250 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-049 % 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 2-Chloro-4-methyl-5-nitropyridine23056-33-9 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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