4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid

C₁₁H₆F₃NO₄CAS 175203-86-8273.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₆F₃NO₄
Molar mass: 273.17 g/mol
Exact mass: 273.0249 Da
logP: 2.12Crippen estimate
Polar surface area: 79.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175203-86-8

SMILES

O=C(O)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O

InChIKey

GSUDZUNGTZIKPY-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3NO4/c12-11(13,14)19-5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)

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Names and synonyms

2 names

3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-
4-Hydroxy-6-(trifluoromethoxy)quinoline-3-carboxylic acid

Work with 4-Hydroxy-6-(trifluoromethoxy)-3-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

4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-968 % similar 4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid49713-47-567 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-764 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-264 % similar 6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-962 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-960 % similar 4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-557 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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