chempirical

Picolinic acid N-oxide

C6H5NO3CAS 824-40-8139.11 g/mol

Open in Covalent MOL file
OHON+O−
Carboxylic acid

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Melting point
161 °C
logP
0.02Crippen estimate
Polar surface area
64.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
824-40-8
SMILES
O=C(O)c1cccc[n+]1[O-]
InChIKey
FHYMLBVGNFVFBT-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

9 names
  • 2-Pyridinecarboxylic acid, 1-oxide
  • Picolinic acid, 1-oxide
  • Pyridine-2-carboxylic acid N-oxide
  • 2-Carboxypyridine N-oxide
  • 1-Oxopicolinic acid
  • NSC 27961
  • 1-Oxidopyridine-2-carboxylic acid
  • 2-Carboxypyridine 1-oxide
  • 2-Carboxypyridin-1-ium-1-olate

Work with Picolinic acid 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

2-Hydroxypyridine N-oxide13161-30-344 % similar Phthalic acid88-99-343 % similar Benzoic acid65-85-042 % similar 2-Mercaptopyridine N-oxide1121-31-939 % similar 2-Chloropyridine N-oxide2402-95-139 % similar Dipyrithione3696-28-439 % similar Ammonium phthalate523-24-039 % similar 1,4-Naphthalenedicarboxylic acid605-70-939 % similar

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

Same formula

4-Nitrophenol100-02-7 3-Hydroxy-4-pyridinecarboxylic acid10128-71-9 Isonicotinic acid N-oxide13602-12-5 5-Hydroxypyridine-2-carboxylic acid15069-92-8 6-Hydroxypicolinic acid19621-92-2 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3 6-Hydroxynicotinic acid5006-66-6

Elsewhere

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