chempirical

4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid

C11H6F3NO3CAS 23779-95-5257.17 g/mol

Open in Covalent MOL file
OHONHFFFO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C11H6F3NO3
Molar mass
257.17 g/mol
Exact mass
257.0300 Da
Melting point
292 °C
logP
2.25Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
23779-95-5
SMILES
O=C(O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIKey
GQZVPBYGGIQINZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)

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

Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-
  • NSC 102792
  • 4-Hydroxy-8-trifluoromethylquinoline-3-carboxylic acid

Work with 4-Hydroxy-8-(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

Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-562 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-256 % similar 2-(Trifluoromethyl)benzoic acid433-97-651 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-650 % similar 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-050 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-550 % similar 2-Methyl-3-(trifluoromethyl)benzoic acid62089-35-449 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-549 % similar

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

Same formula

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

Elsewhere

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