chempirical

5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline

C10H4Cl2F3NOCAS 59108-13-3282.04 g/mol

Open in Covalent MOL file
NHOFFFClCl
Alkyl halideAryl halide

Properties

Molecular formula
C10H4Cl2F3NO
Molar mass
282.04 g/mol
Exact mass
280.9622 Da
logP
3.85Crippen 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
59108-13-3
SMILES
C1=C(C=C(C2=C1NC(=CC2=O)C(F)(F)F)Cl)Cl
InChIKey
UPYWRJPYAKQWLV-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Cl2F3NO/c11-4-1-5(12)9-6(2-4)16-8(3-7(9)17)10(13,14)15/h1-3H,(H,16,17)

Weigh it out

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

Work with 5,7-Dichloro-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

6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-21-356 % similar 5,7-Dichlorokynurenic acid131123-76-752 % similar 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-450 % similar 2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-444 % similar 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-443 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-943 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-541 % similar 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline125647-79-241 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook