4-fluoropyridin-3-ol

• ChemBase ID: 815714
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: n1cc(c(cc1)F)O
• Canonical SMILES: Oc1cnccc1F
• InChI: InChI=1S/C5H4FNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
• InChIKey: QDRZHKUAOGGIPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridin-3-ol
• IUPAC Traditional name: 4-fluoropyridin-3-ol
• Synonyms: 4-fluoropyridin-3-ol

Database IDs

• CAS Number: 1060804-45-6

CALCULATED PROPERTIES

• Acid pKa: 7.686263
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48652917
• LogD (pH = 7.4): 0.41127768
• Log P: 0.59471
• Molar Refractivity: 26.0984 cm^3
• Polarizability: 9.791412 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%