5-fluoropyridin-2-ol

• ChemBase ID: 32945
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1(cnc(cc1)O)F
• Canonical SMILES: Oc1ccc(cn1)F
• InChI: InChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• InChIKey: KLULSYPVWLJZAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoropyridin-2-ol
• IUPAC Traditional name: 5-fluoropyridin-2-ol
• Synonyms: 2-Hydroxy-5-fluoropyridine; 5-Fluoropyridin-2-ol; 5-Fluoro-2-hydroxypyridine

Database IDs

• CAS Number: 51173-05-8
• MDL Number: MFCD03092918
• PubChem SID: 160996252
• PubChem CID: 2762864

CALCULATED PROPERTIES

• Acid pKa: 11.016919
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1891656
• LogD (pH = 7.4): 1.1890638
• Log P: 1.1891675
• Molar Refractivity: 26.4119 cm^3
• Polarizability: 9.795545 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-155°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 98%