6-methoxy-2-(trifluoromethyl)quinolin-4-ol

• ChemBase ID: 291479
• Molecular Formular: C11H8F3NO2
• Molecular Mass: 243.1819296
• Monoisotopic Mass: 243.05071316
• SMILES: Oc1cc(C(F)(F)F)nc2ccc(OC)cc12
• Canonical SMILES: COc1ccc2c(c1)c(O)cc(n2)C(F)(F)F
• InChI: InChI=1S/C11H8F3NO2/c1-17-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
• InChIKey: LLZDJBZPTTUUPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-(trifluoromethyl)quinolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-(trifluoromethyl)quinolin-4-ol
• Synonyms: 6-Methoxy-2-(trifluoromethyl)quinolin-4-ol

Database IDs

• CAS Number: 1701-21-9
• MDL Number: MFCD11855897
• PubChem SID: 180677010
• PubChem CID: 278878

CALCULATED PROPERTIES

• Acid pKa: 9.86556
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9333417
• LogD (pH = 7.4): 2.931905
• Log P: 2.9333627
• Molar Refractivity: 54.0251 cm^3
• Polarizability: 21.15815 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%