8-fluoro-2-methylquinolin-4-ol

• ChemBase ID: 99515
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: n1c(cc(c2cccc(c12)F)O)C
• Canonical SMILES: Cc1cc(O)c2c(n1)c(F)ccc2
• InChI: InChI=1S/C10H8FNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: LLUXFHIYAWGJGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-fluoro-2-methylquinolin-4-ol
• Synonyms: 8-Fluoro-2-methylquinolin-4-ol; 8-Fluoro-4-hydroxy-2-methylquinoline; 8-Fluoro-2-methylquinolin-4-ol

Database IDs

• CAS Number: 5288-22-2
• MDL Number: MFCD00272371
• PubChem SID: 162085779
• PubChem CID: 15395998

CALCULATED PROPERTIES

• Acid pKa: 10.738022
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1013827
• LogD (pH = 7.4): 2.1012108
• Log P: 2.1014073
• Molar Refractivity: 46.7681 cm^3
• Polarizability: 18.9598 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.245
• Hydrophobicity(logP): 3.055

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 98%