4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid

C11H6F3NO3CAS 574-92-5257.17 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
250 °C (decomposes)
logP
2.25Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
574-92-5
SMILES
O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O
InChIKey
BIRIVPOTERXIOW-UHFFFAOYSA-N
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)

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Names and synonyms

4 names
  • 3-Quinolinecarboxylic acid, 4-hydroxy-7-(trifluoromethyl)-
  • 3-Carboxy-4-hydroxy-7-trifluoromethylquinoline
  • 7-Trifluoromethyl-4-hydroxyquinoline-3-carboxylic acid
  • 4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid

Work with 4-Hydroxy-7-(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

7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-563 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-259 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-857 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-256 % similar 6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-954 % similar 4-(Trifluoromethyl)phthalic acid835-58-553 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-953 % similar 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-852 % 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-6-(trifluoromethyl)-3-quinolinecarboxylic acid49713-47-5

Elsewhere

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