chempirical

6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline

C10H5ClF3NOCAS 18706-21-3247.60 g/mol

Open in Covalent MOL file
ClONHFFF
Alkyl halideAryl halide

Properties

Molecular formula
C10H5ClF3NO
Molar mass
247.60 g/mol
Exact mass
247.0012 Da
logP
3.20Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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
18706-21-3
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=C(N2)C(F)(F)F
InChIKey
MGEMMMJZAWYWNI-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF3NO/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
  • 6-Chloro-2-(trifluoromethyl)quinolin-4(1H)-one

Work with 6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline

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

2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-468 % similar 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-467 % similar 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline125647-79-262 % similar 5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline59108-13-356 % similar Pigment red 2023089-17-651 % similar 8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-31-150 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-950 % similar 3-Chlorocarbazole2732-25-443 % similar

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

Same formula

8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-4 7-Chloro-2-(trifluoromethyl)-4-quinolinol57124-20-6

Elsewhere

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