8-bromo-5-fluoroquinolin-4-ol

• ChemBase ID: 52815
• Molecular Formular: C9H5BrFNO
• Molecular Mass: 242.0445032
• Monoisotopic Mass: 240.95385401
• SMILES: c1cc(c2c(c1F)c(ccn2)O)Br
• Canonical SMILES: Brc1ccc(c2c1nccc2O)F
• InChI: InChI=1S/C9H5BrFNO/c10-5-1-2-6(11)8-7(13)3-4-12-9(5)8/h1-4H,(H,12,13)
• InChIKey: NGLVFYGOSNNWEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-5-fluoroquinolin-4-ol
• IUPAC Traditional name: 8-bromo-5-fluoroquinolin-4-ol
• Synonyms: 8-Bromo-5-fluoroquinolin-4-ol

Database IDs

• CAS Number: 1065092-35-4
• MDL Number: MFCD15527288
• PubChem SID: 162057578
• PubChem CID: 49757959

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 10.393945
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7387474
• LogD (pH = 7.4): 2.7383575
• Log P: 2.7387898
• Molar Refractivity: 49.7994 cm^3
• Polarizability: 20.060308 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%