2-bromo-5-chloro-3-fluoropyridin-4-ol

• ChemBase ID: 98187
• Molecular Formular: C5H2BrClFNO
• Molecular Mass: 226.4308832
• Monoisotopic Mass: 224.89923159
• SMILES: Clc1cnc(c(c1O)F)Br
• Canonical SMILES: Clc1cnc(c(c1O)F)Br
• InChI: InChI=1S/C5H2BrClFNO/c6-5-3(8)4(10)2(7)1-9-5/h1H,(H,9,10)
• InChIKey: RDZYIIXPSIKYQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloro-3-fluoropyridin-4-ol
• IUPAC Traditional name: 2-bromo-5-chloro-3-fluoropyridin-4-ol
• Synonyms: 2-Bromo-5-chloro-3-fluoropyridin-4-ol; 2-Bromo-5-chloro-3-fluoro-4-hydroxypyridine

Database IDs

• PubChem SID: 162105101
• PubChem CID: 71300105

CALCULATED PROPERTIES

• Acid pKa: 7.7548943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.170686
• LogD (pH = 7.4): 2.0192735
• Log P: 2.1730294
• Molar Refractivity: 39.3682 cm^3
• Polarizability: 15.017013 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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