8-Hydroxyquinoline-2-carboxylic acid

C₁₀H₇NO₃CAS 1571-30-8189.17 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₀H₇NO₃
Molar mass: 189.17 g/mol
Exact mass: 189.0426 Da
Melting point: 190–200 °C
logP: 1.64Crippen estimate
Polar surface area: 70.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

1571-30-8

SMILES

O=C(O)c1ccc2cccc(O)c2n1

InChIKey

UHBIKXOBLZWFKM-UHFFFAOYSA-N

InChI

InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)

Weigh it out

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

Names and synonyms

6 names

2-Quinolinecarboxylic acid, 8-hydroxy-
Quinaldic acid, 8-hydroxy-
8-Hydroxy-2-quinolinecarboxylic acid
8-Hydroxyquinaldic acid
2-Carboxy-8-hydroxyquinoline
8-Hydroxyquinaldinic acid

Work with 8-Hydroxyquinoline-2-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

1,10-Phenanthroline-2,9-dicarboxylic acid57709-61-268 % similar Xanthurenic acid59-00-761 % similar Quinaldic acid93-10-758 % similar Dipicolinic acid499-83-256 % similar 8-Hydroxyquinolin-2(1H)-one15450-76-754 % similar 6-Hydroxypicolinic acid19621-92-253 % similar 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-751 % similar 2-Amino-8-hydroxyquinoline70125-16-551 % 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 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9 8-Hydroxyquinoline-7-carboxylic acid19829-79-9

Elsewhere

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