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

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)

Weigh it out

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

Names and synonyms

1 names

3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-

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

Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-764 % similar 4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-557 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-257 % similar 5-Trifluoromethoxysalicylic acid129644-57-154 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-053 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-551 % similar 6-(Trifluoromethoxy)-4-quinolinol175203-87-949 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-249 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook