chempirical

4-Chloropyridine N-oxide

C5H4ClNOCAS 1121-76-2129.54 g/mol

Open in Covalent MOL file
O−N+Cl
Aryl halide

Properties

Molecular formula
C5H4ClNO
Molar mass
129.54 g/mol
Exact mass
128.9981 Da
Melting point
187–189 °C
logP
0.97Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1121-76-2
SMILES
[O-][n+]1ccc(Cl)cc1
InChIKey
DPJVRASYWYOFSJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Pyridine, 4-chloro-, 1-oxide
  • Pyridine, 4-chloro-, oxide
  • TH 285N
  • 4-Chloropyridine 1-oxide
  • 4-Chloropyridine oxide
  • NSC 5074

Work with 4-Chloropyridine 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-Methylpyridine N-oxide1003-67-448 % similar 4-Phenylpyridine 1-oxide1131-61-946 % similar 1,4-Dichlorobenzene106-46-744 % similar 4-Methoxypyridine N-oxide1122-96-942 % similar 4-Cyanopyridine N-oxide14906-59-342 % similar 4-Nitropyridine-N-oxide1124-33-039 % similar Chlorobenzene108-90-738 % similar 4,4′-Dichlorobiphenyl2050-68-238 % similar

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

Same formula

3-Chloro-2-hydroxypyridine13466-35-8 6-Chloro-2(1H)-pyridinone16879-02-0 2-Chloro-4-pyridinol17368-12-6 2-Chloropyridine N-oxide2402-95-1 5-Chloro-2(1H)-pyridinone4214-79-3 2-Chloro-3-pyridinol6636-78-8 5-Chloro-3-pyridinol74115-12-1

Elsewhere

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