3-fluoropyridin-4-ol

• ChemBase ID: 286732
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: Oc1c(F)cncc1
• Canonical SMILES: Oc1ccncc1F
• InChI: InChI=1S/C5H4FNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
• InChIKey: HTXNVGYNXOGIQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropyridin-4-ol
• IUPAC Traditional name: 3-fluoropyridin-4-ol
• Synonyms: 3-Fluoropyridin-4-ol; 3-FLUORO-4-HYDROXYPYRIDINE

Database IDs

• CAS Number: 22282-73-1
• PubChem SID: 180672263
• PubChem CID: 2762919

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 9.025984
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5945547
• LogD (pH = 7.4): 0.5847812
• Log P: 0.59471
• Molar Refractivity: 26.0984 cm^3
• Polarizability: 9.790051 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0

PROPERTIES

Product Information

• Purity: 95+%; 98%