8-Quinolinecarboxylic acid

C10H7NO2CAS 86-59-9173.17 g/mol

Open in Covalent MOL file
OOHN
Carboxylic acid

Properties

Molecular formula
C10H7NO2
Molar mass
173.17 g/mol
Exact mass
173.0477 Da
logP
1.93Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
86-59-9
SMILES
C1=CC2=C(C(=C1)C(=O)O)N=CC=C2
InChIKey
QRDZFPUVLYEQTA-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)

Weigh it out

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

Work with 8-Quinolinecarboxylic acid

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

8-Hydroxyquinoline-7-carboxylic acid19829-79-967 % similar Quinoxaline-5-carboxylic acid6924-66-965 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-665 % similar 2-Chloronicotinic acid2942-59-862 % similar Quinolinic acid339155-13-461 % similar Quinolinic acid89-00-961 % similar 2-Hydroxynicotinic acid609-71-259 % similar Quinoline-5-carboxylic acid7250-53-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Cyanocinnamic acid1011-92-3 6-Quinolinecarboxylic acid10349-57-2 6-Isoquinolinecarboxylic acid106778-43-2 1-Nitroso-2-naphthol131-91-9 2-Nitroso-1-naphthol132-53-6 8-Hydroxyquinoline-2-carboxaldehyde14510-06-6 3-(4-Cyanophenyl)-2-propenoic acid18664-39-6 Isoquinoline-5-carboxylic acid27810-64-6

Elsewhere

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