2-Hydroxycinchoninic acid

C₁₀H₇NO₃CAS 15733-89-8189.17 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: 343 °C
logP: 1.64Crippen estimate
Polar surface area: 70.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed78.8% of notifiers
H315 Causes skin irritation19.2% of notifiers
H319 Causes serious eye irritation94.2% of notifiers
H335 May cause respiratory irritation17.3% of notifiers

Aggregated from 52 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15733-89-8

SMILES

O=C(O)c1cc(O)nc2ccccc12

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.

Names and synonyms

10 names

4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
Cinchoninic acid, 2-hydroxy-
1,2-Dihydro-2-oxo-4-quinolinecarboxylic acid
2-Hydroxy-4-quinolinecarboxylic acid
4-Carboxycarbostyril
NSC 3564
2-Hydroxyquinoline-4-carboxylic acid
2-Oxo-1,2-dihydroquinoline-4-carboxylic acid
2-Hydroxy-4-carboxyquinoline
2-Oxo-1H-quinoline-4-carboxylic acid

Reactions

2-HYDROXYCINCHONINIC ACID (Cinchoninic acid, 2-hydroxy-)product

Work with 2-Hydroxycinchoninic 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-Hydroxyquinoline-4-carboxylic acid84906-81-0

Similar compounds

Bicinchoninic acid1245-13-271 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-266 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-866 % similar 2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid6952-34-762 % similar 2-(2-Chlorophenyl)quinoline-4-carboxylic acid20389-09-758 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-957 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-357 % similar 2-Thiophen-2-yl-quinoline-4-carboxylic acid31792-47-957 % 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 8-Hydroxyquinoline-7-carboxylic acid19829-79-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook