Quinolinic acid
Properties
- Molecular formula
- C7H5NO4
- Molar mass
- 167.12 g/mol
- Exact mass
- 167.0219 Da
- Melting point
- 228.5 °C
- pKa
- 2.43 (conjugate acid)
- logP
- 0.48Crippen estimate
- Polar surface area
- 87.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed12.8% of notifiers
- H315 Causes skin irritation48% of notifiers
- H318 Causes serious eye damage42.4% of notifiers
- H319 Causes serious eye irritation57.2% of notifiers
- H335 May cause respiratory irritation99.2% of notifiers
Aggregated from 250 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
89-00-9SMILES
O=C(O)c1cccnc1C(=O)OInChIKey
GJAWHXHKYYXBSV-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2,3-Pyridinedicarboxylic acid
- NSC 13127
- NSC 18836
- NSC 403247
Work with Quinolinic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Acetyl-3-pyridinecarboxylic acid89942-59-672 % similar
2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-671 % similar
3-Bromopyridine-2-carboxylic acid30683-23-965 % similar
2-Hydroxynicotinic acid609-71-265 % similar
3-Hydroxypicolinic acid874-24-865 % similar
3-Aminopicolinic acid1462-86-863 % similar
3-Fluoropyridine-2-carboxylic acid152126-31-363 % similar
2-Chloronicotinic acid2942-59-863 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.