chempirical

2-Hydroxyquinoline-4-carboxylic acid

C10H7NO3CAS 84906-81-0189.17 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acid

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
logP
1.23Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 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
84906-81-0
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O
InChIKey
MFSHNFBQNVGXJX-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)

Weigh it out

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

Work with 2-Hydroxyquinoline-4-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

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.

2-Hydroxycinchoninic acid15733-89-8

Similar compounds

Indole-3-carboxylic acid771-50-657 % similar Kynurenic acid492-27-355 % similar 1,4-Naphthalenedicarboxylic acid605-70-950 % similar Indole-2-carboxylic acid1477-50-549 % similar 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid5162-90-348 % similar Indole-4-carboxylic acid2124-55-248 % similar Bicinchoninic acid1245-13-246 % similar 4-(Bromomethyl)-1,2-dihydroquinolin-2-one4876-10-246 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 N-Acetylphthalimide1971-49-9

Elsewhere

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