5-chloro-3-fluoropyridin-2-ol

• ChemBase ID: 807284
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: n1c(c(cc(c1)Cl)F)O
• Canonical SMILES: Clc1cnc(c(c1)F)O
• InChI: InChI=1S/C5H3ClFNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
• InChIKey: AKLNMOLGRGQMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-fluoropyridin-2-ol
• IUPAC Traditional name: 5-chloro-3-fluoropyridin-2-ol
• Synonyms: 5-CHLORO-3-FLUORO-2-HYDROXYPYRIDINE

Database IDs

• CAS Number: 514797-96-7

CALCULATED PROPERTIES

• Acid pKa: 9.903768
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7931952
• LogD (pH = 7.4): 1.7918727
• Log P: 1.7932122
• Molar Refractivity: 31.2167 cm^3
• Polarizability: 11.790688 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%