5-fluoropyridin-3-ol

• ChemBase ID: 66661
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1c(cc(cn1)O)F
• Canonical SMILES: Oc1cncc(c1)F
• InChI: InChI=1S/C5H4FNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
• InChIKey: IUFLFKASIHPKNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoropyridin-3-ol
• IUPAC Traditional name: 5-fluoropyridin-3-ol
• Synonyms: 5-Fluoro-3-pyridinol; 5-Fluoro-3-hydroxypyridine; 5-Fluoropyridin-3-ol; 3-Fluoro-5-hydroxypyridine; 3-Fluoro-5-hydroxypyridine; 3-氟-5-羟基吡啶

Database IDs

• CAS Number: 209328-55-2
• MDL Number: MFCD03095199
• PubChem SID: 162032398
• PubChem CID: 2762906

CALCULATED PROPERTIES

• Acid pKa: 7.7360206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59156275
• LogD (pH = 7.4): 0.43403786
• Log P: 0.59471
• Molar Refractivity: 26.0984 cm^3
• Polarizability: 9.793054 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-164°C; 161-164°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95+%; 97%; 98%

DETAILS

Toronto Research Chemicals - F591925

3-Fluoro-5-hydroxypyridine is used in the preparation of pyridine derivatives as thyroid hormone β receptor agonists.