chempirical

3-Chloro-5-nitro-2(1H)-pyridinone

C5H3ClN2O3CAS 22353-38-4174.54 g/mol

Open in Covalent MOL file
ON+O−NOHCl
Aryl halideNitroPhenol

Properties

Molecular formula
C5H3ClN2O3
Molar mass
174.54 g/mol
Exact mass
173.9832 Da
Melting point
165–167 °C
logP
1.35Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
22353-38-4
SMILES
O=[N+]([O-])c1cnc(O)c(Cl)c1
InChIKey
GTOXJMNILNYXLE-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)

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Names and synonyms

10 names
  • 2(1H)-Pyridinone, 3-chloro-5-nitro-
  • 2-Pyridinol, 3-chloro-5-nitro-
  • 3-Chloro-2-hydroxy-5-nitropyridine
  • 3-Chloro-5-nitro-2-hydroxypyridine
  • NSC 349953
  • 3-Chloro-5-nitro-2-pyridinol
  • 3-Chloro-5-nitropyridin-2-ol
  • 2-Hydroxy-3-chloro-5-nitropyridine
  • 3-Chloro-5-nitro-1H-pyridin-2-one
  • 3-Chloro-5-nitro-1,2-dihydropyridin-2-one

Work with 3-Chloro-5-nitro-2(1H)-pyridinone

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

2,3-Dichloro-5-nitropyridine22353-40-866 % similar 3,5-Dinitro-2(1H)-pyridinone2980-33-866 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-662 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-862 % similar 2,6-Dichloro-4-nitrophenol618-80-457 % similar 2-Chloro-5-nitropyrimidine10320-42-053 % similar 2-Chloro-3,5-dinitropyridine2578-45-253 % similar Nitrofungin619-08-953 % similar

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

Same formula

2-Chloro-4-nitropyridine N-oxide14432-16-7 4-Chloro-2-hydroxy-3-nitropyridine165547-79-5

Elsewhere

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