7-fluoroquinolin-4-ol

• ChemBase ID: 94595
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: n1ccc(c2c1cc(cc2)F)O
• Canonical SMILES: Fc1ccc2c(c1)nccc2O
• InChI: InChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
• InChIKey: ZLHGUGJJHJJVHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoroquinolin-4-ol
• IUPAC Traditional name: 7-fluoroquinolin-4-ol
• Synonyms: 7-Fluoro-4-hydroxyquinoline

Database IDs

• CAS Number: 391-83-3
• MDL Number: MFCD00269612
• PubChem SID: 162081249
• PubChem CID: 2774496

CALCULATED PROPERTIES

• Acid pKa: 10.601673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9697987
• LogD (pH = 7.4): 1.9697658
• Log P: 1.9700371
• Molar Refractivity: 42.1766 cm^3
• Polarizability: 17.190712 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%