6-Bromo-2-(trifluoromethyl)-4-quinolinol

C₁₀H₅BrF₃NOCAS 1701-22-0292.06 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₁₀H₅BrF₃NO
Molar mass: 292.06 g/mol
Exact mass: 290.9507 Da
logP: 3.72Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

1701-22-0

SMILES

Oc1cc(C(F)(F)F)nc2ccc(Br)cc12

InChIKey

HIBGBUAHZUWVNW-UHFFFAOYSA-N

InChI

InChI=1S/C10H5BrF3NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)

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Names and synonyms

1 names

4-Quinolinol, 6-bromo-2-(trifluoromethyl)-

Work with 6-Bromo-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-quinolinol1701-20-865 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-665 % similar 7-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline57124-20-653 % similar 4-Bromo-2-(trifluoromethyl)phenol50824-04-950 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-949 % similar 8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-546 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-141 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook