2,3-difluoropyridin-4-ol

• ChemBase ID: 98190
• Molecular Formular: C5H3F2NO
• Molecular Mass: 131.0802264
• Monoisotopic Mass: 131.01827016
• SMILES: n1c(c(c(cc1)O)F)F
• Canonical SMILES: Fc1c(O)ccnc1F
• InChI: InChI=1S/C5H3F2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
• InChIKey: FOEUCTQDSCGXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoropyridin-4-ol
• IUPAC Traditional name: 2,3-difluoropyridin-4-ol
• Synonyms: 2,3-Difluoropyridin-4-ol; 2,3-Difluoro-4-hydroxypyridine

Database IDs

• CAS Number: 1227579-00-1
• PubChem SID: 162084645
• PubChem CID: 60146079

CALCULATED PROPERTIES

• Acid pKa: 8.907702
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1311768
• LogD (pH = 7.4): 1.1183813
• Log P: 1.1313426
• Molar Refractivity: 27.3295 cm^3
• Polarizability: 9.667232 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/Store under Argon