chempirical

Quinoline-5-carboxylic acid

C10H7NO2CAS 7250-53-5173.17 g/mol

Open in Covalent MOL file
NOOH
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7250-53-5
SMILES
C1=CC(=C2C=CC=NC2=C1)C(=O)O
InChIKey
RAYMXZBXQCGRGX-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1-6H,(H,12,13)

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Work with Quinoline-5-carboxylic 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

4-Quinolinecarboxylic acid486-74-878 % similar Quinoxaline-5-carboxylic acid6924-66-963 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-663 % similar 2-Chloronicotinic acid2942-59-860 % similar Quinolinic acid339155-13-459 % similar Quinolinic acid89-00-959 % similar 2-Hydroxynicotinic acid609-71-257 % similar 5-Carboxy-8-hydroxyquinoline5852-78-856 % 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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