chempirical

Methyl 6-chloro-5-nitro-3-pyridinecarboxylate

C7H5ClN2O4CAS 59237-53-5216.58 g/mol

Open in Covalent MOL file
OONClN+OO−
Aryl halideEsterNitro

Properties

Molecular formula
C7H5ClN2O4
Molar mass
216.58 g/mol
Exact mass
215.9938 Da
Melting point
76 °C
logP
1.43Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
59237-53-5
SMILES
COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1
InChIKey
BRPREIDVQXJOJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyridinecarboxylic acid, 6-chloro-5-nitro-, methyl ester
  • Methyl 6-chloro-5-nitronicotinate
  • Methyl 2-chloro-3-nitropyridine-5-carboxylate
  • Methyl 6-chloro-5-nitropyridine-3-carboxylate
  • 6-Chloro-5-nitronicotinic acid methyl ester
  • NSC 405361
  • 6-Chloro-5-nitropyridine-3-carboxylic acid methyl ester

Work with Methyl 6-chloro-5-nitro-3-pyridinecarboxylate

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

Dimethyl nitroterephthalate5292-45-557 % similar Methyl 3-nitro-4-methylbenzoate7356-11-855 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-855 % similar Methyl 3-fluoro-4-nitrobenzoate185629-31-654 % similar Methyl 4-fluoro-3-nitrobenzoate329-59-954 % similar Methyl 4-amino-3-nitrobenzoate3987-92-654 % similar Methyl 4-hydroxy-3-nitrobenzoate99-42-354 % similar 2,5-Dichloro-3-nitropyridine21427-62-353 % similar

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

Same formula

2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-3 2,4-Dinitrobenzyl chloride610-57-1 3,5-Dinitrobenzyl chloride74367-78-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook