chempirical

2-Chloro-5-nitropyridine

C5H3ClN2O2CAS 4548-45-2158.54 g/mol

Open in Covalent MOL file
ON+O−ClN
Aryl halideNitro

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
Melting point
81–82 °C
logP
1.64Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
4548-45-2
SMILES
O=[N+]([O-])c1ccc(Cl)nc1
InChIKey
BAZVFQBTJPBRTJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Pyridine, 2-chloro-5-nitro-
  • 6-Chloro-3-nitropyridine
  • 5-Nitro-2-chloropyridine
  • 3-Nitro-6-chloropyridine
  • NSC 4468

Work with 2-Chloro-5-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-Fluoro-5-nitropyridine456-24-665 % similar 2-Chloro-5-nitropyrimidine10320-42-062 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-859 % similar 2-Bromo-5-nitropyridine4487-59-659 % similar 5-Nitro-2(1H)-pyridinone5418-51-959 % similar 2-Cyano-5-nitropyridine100367-55-354 % similar 6-Methoxy-3-nitropyridine5446-92-454 % similar 6-Chloro-3-nitroimidazo[1,2-B]pyridazine18087-76-854 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 6-Chloro-3-pyridazinecarboxylic acid5096-73-1 2-Chloro-3-nitropyridine5470-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook