5-bromo-2-fluoropyridin-3-ol

• ChemBase ID: 98180
• Molecular Formular: C5H3BrFNO
• Molecular Mass: 191.9858232
• Monoisotopic Mass: 190.93820394
• SMILES: n1c(c(cc(c1)Br)O)F
• Canonical SMILES: Brc1cnc(c(c1)O)F
• InChI: InChI=1S/C5H3BrFNO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
• InChIKey: SLLINPJLHURFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-fluoropyridin-3-ol
• IUPAC Traditional name: 5-bromo-2-fluoropyridin-3-ol
• Synonyms: 5-Bromo-2-fluoropyridin-3-ol; 5-Bromo-2-fluoro-3-hydroxypyridine; 5-BroMo-2-fluoropyridin-3-ol

Database IDs

• CAS Number: 1012084-53-5
• PubChem SID: 162084637
• PubChem CID: 20111865

CALCULATED PROPERTIES

• Acid pKa: 7.0251637
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7449445
• LogD (pH = 7.4): 1.2545619
• Log P: 1.7573932
• Molar Refractivity: 34.7359 cm^3
• Polarizability: 12.919596 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 97%