6-fluoro-4-methylquinolin-2-ol

• ChemBase ID: 804509
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: c1cc2c(cc1F)c(cc(n2)O)C
• Canonical SMILES: Fc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C10H8FNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
• InChIKey: YQUNFZJSJNYUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-methylquinolin-2-ol
• IUPAC Traditional name: 6-fluoro-4-methylquinolin-2-ol
• Synonyms: 6-FLUORO-4-METHYLQUINOLIN-2-OL

Database IDs

• CAS Number: 15912-69-3

CALCULATED PROPERTIES

• Acid pKa: 11.964045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0778255
• LogD (pH = 7.4): 3.077903
• Log P: 3.077916
• Molar Refractivity: 47.5313 cm^3
• Polarizability: 18.954603 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%