6-fluoroquinolin-8-ol

• ChemBase ID: 293107
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: Oc1c2ncccc2cc(F)c1
• Canonical SMILES: Fc1cc2cccnc2c(c1)O
• InChI: InChI=1S/C9H6FNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H
• InChIKey: SCUWALYGODIPCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinolin-8-ol
• IUPAC Traditional name: 6-fluoroquinolin-8-ol
• Synonyms: 6-Fluoroquinolin-8-ol

Database IDs

• CAS Number: 135838-04-9
• MDL Number: MFCD18414597
• PubChem SID: 180678638
• PubChem CID: 384160

CALCULATED PROPERTIES

• Acid pKa: 7.817582
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9521171
• LogD (pH = 7.4): 1.8266093
• Log P: 1.9700371
• Molar Refractivity: 42.1766 cm^3
• Polarizability: 17.196114 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%