chempirical

3-Hydroxypyridine N-oxide

C5H5NO2CAS 6602-28-4111.10 g/mol

Open in Covalent MOL file
O−N+OH
Phenol

Properties

Molecular formula
C5H5NO2
Molar mass
111.10 g/mol
Exact mass
111.0320 Da
Melting point
190–192 °C
logP
0.03Crippen estimate
Polar surface area
47.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
6602-28-4
SMILES
[O-][n+]1cccc(O)c1
InChIKey
YMEZKRMAPQIBQH-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H

Weigh it out

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Names and synonyms

8 names
  • 3-Pyridinol, 1-oxide
  • 3-Hydroxypyridine 1-oxide
  • 3-Pyridinol N-oxide
  • 3-Hydroxypyridine oxide
  • NSC 21399
  • 1-Oxopyridin-3-ol
  • 1-Oxidopyridin-1-ium-3-ol
  • 3-Hydroxypyridin-1-ium-1-olate

Work with 3-Hydroxypyridine 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

3-Methylpyridine N-oxide1003-73-250 % similar 3-Bromopyridine oxide2402-97-350 % similar Nicotinamide N-oxide1986-81-845 % similar Nicotinic acid N-oxide2398-81-445 % similar 3-Cyanopyridine 1-oxide14906-64-045 % similar Isoquinoline N-oxide1532-72-541 % similar Phenol108-95-238 % similar Resorcinol108-46-336 % similar

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

Same formula

2-Hydroxypyridine N-oxide13161-30-3 2,3-Dihydroxypyridine16867-04-2 2-(Acetyloxy)-2-propenenitrile3061-65-2 5-Hydroxy-2(1H)-pyridinone5154-01-8 2-Furancarboxamide609-38-1 4-Hydroxy-2(1H)-pyridinone626-03-9 2,6-Dihydroxypyridine626-06-2 Pyrrole-2-carboxylic acid634-97-9

Elsewhere

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