Isonicotinic acid N-oxide
Properties
- Molecular formula
- C6H5NO3
- Molar mass
- 139.11 g/mol
- Exact mass
- 139.0269 Da
- Melting point
- 270–271 °C
- logP
- 0.02Crippen estimate
- Polar surface area
- 64.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation67.2% of notifiers
- H319 Causes serious eye irritation67.2% of notifiers
- H335 May cause respiratory irritation65.7% of notifiers
Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13602-12-5SMILES
O=C(O)c1cc[n+]([O-])cc1InChIKey
QCWTWMJMLSKQCJ-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 4-Pyridinecarboxylic acid, 1-oxide
- Isonicotinic acid, 1-oxide
- Isonicotinic acid oxide
- 4-Carboxypyridine N-oxide
- 4-Pyridinecarboxylic acid oxide
- 4-Pyridinecarboxylic acid N-oxide
- NSC 63044
- 4-Carboxypyridine 1-oxide
- 1-Oxidopyridin-1-ium-4-carboxylic acid
Work with Isonicotinic acid N-oxide
Similar compounds
Terephthalic acid100-21-058 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-652 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-452 % similar
Benzoic acid65-85-052 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-252 % similar
4,4′-Oxybis[benzoic acid]2215-89-648 % similar
Isonicotinic acid55-22-148 % similar
4-Hydroxybenzoic acid99-96-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.