chempirical

2-Chloro-4-nitropyridine N-oxide

C5H3ClN2O3CAS 14432-16-7174.54 g/mol

Open in Covalent MOL file
ON+O−N+O−Cl
Aryl halideNitro

Properties

Molecular formula
C5H3ClN2O3
Molar mass
174.54 g/mol
Exact mass
173.9832 Da
Melting point
140–143 °C
logP
0.88Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
14432-16-7
SMILES
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H

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Names and synonyms

5 names
  • Pyridine, 2-chloro-4-nitro-, 1-oxide
  • NSC 527701
  • 2-Chloro-4-nitropyridine 1-oxide
  • 2-Chloro-4-nitropyridin-1-ium-1-olate
  • 2-Chloro-4-nitro-1-oxidopyridin-1-ium

Work with 2-Chloro-4-nitropyridine N-oxide

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

4-Nitro-2-methylpyridine N-oxide5470-66-661 % similar 4-Nitropyridine-N-oxide1124-33-050 % similar 1,2-Dichloro-4-nitrobenzene99-54-747 % similar 3-Nitrobenzyl chloride619-23-846 % similar 2,4-Dinitrochlorobenzene97-00-745 % similar 1-Fluoro-3-nitrobenzene402-67-543 % similar 3,5-Dichloronitrobenzene618-62-243 % similar 2-Chloro-4-nitrotoluene121-86-843 % similar

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

Same formula

3-Chloro-5-nitro-2(1H)-pyridinone22353-38-4

Elsewhere

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