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

C₁₁H₆F₃NO₃CAS 49713-47-5257.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₆F₃NO₃
Molar mass: 257.17 g/mol
Exact mass: 257.0300 Da
logP: 2.25Crippen estimate
Polar surface area: 70.2 Å²
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

49713-47-5

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O

InChIKey

VUPSPASQZKLXMI-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3NO3/c12-11(13,14)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

1 names

4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylic acid

Work with 4-Hydroxy-6-(trifluoromethyl)-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-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-867 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-267 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-963 % similar 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-960 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-259 % similar 4-(Trifluoromethyl)phthalic acid835-58-553 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-553 % similar 5-Trifluoromethyl-1H-indole-2-carboxylic acid496946-78-252 % similar

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

Same formula

4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid23779-95-5 4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-5

Elsewhere

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