2,6-difluoropyridin-3-ol

• ChemBase ID: 98181
• Molecular Formular: C5H3F2NO
• Molecular Mass: 131.0802264
• Monoisotopic Mass: 131.01827016
• SMILES: Fc1nc(ccc1O)F
• Canonical SMILES: Fc1ccc(c(n1)F)O
• InChI: InChI=1S/C5H3F2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
• InChIKey: HTLONLFPRJFFNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyridin-3-ol
• IUPAC Traditional name: 2,6-difluoropyridin-3-ol
• Synonyms: 2,6-Difluoropyridin-3-ol; 2,6-Difluoro-3-hydroxypyridine

Database IDs

• CAS Number: 209328-85-8
• MDL Number: MFCD11044351
• PubChem SID: 162084638
• PubChem CID: 22451540

CALCULATED PROPERTIES

• Acid pKa: 7.5124784
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5211706
• LogD (pH = 7.4): 1.2844852
• Log P: 1.5252733
• Molar Refractivity: 28.3442 cm^3
• Polarizability: 9.67198 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-125°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon