5-fluoroquinolin-4-ol

• ChemBase ID: 52816
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: c1ccc2c(c1F)c(ccn2)O
• Canonical SMILES: Oc1ccnc2c1c(F)ccc2
• InChI: InChI=1S/C9H6FNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-5H,(H,11,12)
• InChIKey: IHTLZRUKASGYSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoroquinolin-4-ol
• IUPAC Traditional name: 5-fluoroquinolin-4-ol
• Synonyms: 5-Fluoroquinolin-4-ol

Database IDs

• CAS Number: 386-68-5
• MDL Number: MFCD08063199
• PubChem SID: 162057579
• PubChem CID: 9547779

CALCULATED PROPERTIES

• Acid pKa: 10.540306
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9696726
• LogD (pH = 7.4): 1.9697231
• Log P: 1.9700371
• Molar Refractivity: 42.1766 cm^3
• Polarizability: 17.19467 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%