(5-fluoroquinolin-8-yl)methanol

• ChemBase ID: 263968
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: c12c(c(ccc1CO)F)cccn2
• Canonical SMILES: OCc1ccc(c2c1nccc2)F
• InChI: InChI=1S/C10H8FNO/c11-9-4-3-7(6-13)10-8(9)2-1-5-12-10/h1-5,13H,6H2
• InChIKey: ODFGFUSNCUMLLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoroquinolin-8-yl)methanol
• IUPAC Traditional name: (5-fluoroquinolin-8-yl)methanol
• Synonyms: (5-fluoroquinolin-8-yl)methanol

Database IDs

• MDL Number: MFCD12138086
• PubChem SID: 164319878
• PubChem CID: 43558857

CALCULATED PROPERTIES

• Acid pKa: 14.959108
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5012119
• LogD (pH = 7.4): 1.5061888
• Log P: 1.5062526
• Molar Refractivity: 47.0116 cm^3
• Polarizability: 19.04705 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 1.197

Product Information

• Purity: 95%