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

• ChemBase ID: 291482
• Molecular Formular: C11H8F3NO2
• Molecular Mass: 243.1819296
• Monoisotopic Mass: 243.05071316
• SMILES: Oc1cc(C(F)(F)F)nc2cc(OC)ccc12
• Canonical SMILES: COc1ccc2c(c1)nc(cc2O)C(F)(F)F
• InChI: InChI=1S/C11H8F3NO2/c1-17-6-2-3-7-8(4-6)15-10(5-9(7)16)11(12,13)14/h2-5H,1H3,(H,15,16)
• InChIKey: SOHIYSRJLNWZFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2-(trifluoromethyl)quinolin-4-ol
• IUPAC Traditional name: 7-methoxy-2-(trifluoromethyl)quinolin-4-ol
• Synonyms: 7-Methoxy-2-(trifluoromethyl)quinolin-4-ol

Database IDs

• CAS Number: 41192-85-2
• MDL Number: MFCD12026013
• PubChem SID: 180677013
• PubChem CID: 618283

CALCULATED PROPERTIES

• Acid pKa: 9.752524
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9333353
• LogD (pH = 7.4): 2.9314733
• Log P: 2.9333627
• Molar Refractivity: 54.0251 cm^3
• Polarizability: 21.157852 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%