chempirical

7-Chloro-2-(trifluoromethyl)-4-quinolinol

C10H5ClF3NOCAS 57124-20-6247.60 g/mol

Open in Covalent MOL file
OHFFFNCl
Alkyl halideAryl halidePhenol

Properties

Molecular formula
C10H5ClF3NO
Molar mass
247.60 g/mol
Exact mass
247.0012 Da
logP
3.61Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
57124-20-6
SMILES
Oc1cc(C(F)(F)F)nc2cc(Cl)ccc12
InChIKey
ZJZPFKHDRYBYBO-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(3-5)15-9(4-8(6)16)10(12,13)14/h1-4H,(H,15,16)

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Names and synonyms

2 names
  • 4-Quinolinol, 7-chloro-2-(trifluoromethyl)-
  • 7-Chloro-4-hydroxy-2-trifluoromethylquinoline

Work with 7-Chloro-2-(trifluoromethyl)-4-quinolinol

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

6-Methyl-2-(trifluoromethyl)-4-quinolinol1701-20-853 % similar 6-Bromo-2-(trifluoromethyl)-4-quinolinol1701-22-053 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-952 % similar 8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-549 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-549 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-643 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-141 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-440 % similar

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

Elsewhere

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