3-fluoropyridin-2-ol

• ChemBase ID: 21405
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1cnc(c(c1)F)O
• Canonical SMILES: Fc1cccnc1O
• InChI: InChI=1S/C5H4FNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
• InChIKey: CISUDJRBCKKAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropyridin-2-ol
• IUPAC Traditional name: 3-fluoropyridin-2-ol
• Synonyms: 3-Fluoropyridin-2-ol; 3-Fluoro-2-hydroxypyridine; 3-Fluoro-2-pyridinol; 3-Fluoro-2-hydroxypyridine; 3-氟-2羟基吡啶

Database IDs

• CAS Number: 1547-29-1
• MDL Number: MFCD03095042
• PubChem SID: 160984712
• PubChem CID: 2783363

CALCULATED PROPERTIES

• Acid pKa: 10.321515
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.189159
• LogD (pH = 7.4): 1.188655
• Log P: 1.1891675
• Molar Refractivity: 26.4119 cm^3
• Polarizability: 9.795445 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-161°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 97%; 98%