2-(trifluoromethyl)quinolin-7-ol

• ChemBase ID: 263981
• Molecular Formular: C10H6F3NO
• Molecular Mass: 213.1559496
• Monoisotopic Mass: 213.04014848
• SMILES: n1c(C(F)(F)F)ccc2c1cc(cc2)O
• Canonical SMILES: Oc1ccc2c(c1)nc(cc2)C(F)(F)F
• InChI: InChI=1S/C10H6F3NO/c11-10(12,13)9-4-2-6-1-3-7(15)5-8(6)14-9/h1-5,15H
• InChIKey: UWBLTDHXQBGGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)quinolin-7-ol
• IUPAC Traditional name: 2-(trifluoromethyl)quinolin-7-ol
• Synonyms: 2-(trifluoromethyl)quinolin-7-ol

Database IDs

• MDL Number: MFCD02192593
• PubChem SID: 164319891
• PubChem CID: 4275655

CALCULATED PROPERTIES

• Acid pKa: 8.762999
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0907726
• LogD (pH = 7.4): 3.0727217
• Log P: 3.091034
• Molar Refractivity: 47.5619 cm^3
• Polarizability: 18.596008 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): 3.141

Product Information

• Purity: 95%