6-fluoropyridin-2-ol

• ChemBase ID: 38203
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1c(nc(cc1)F)O
• Canonical SMILES: Oc1cccc(n1)F
• InChI: InChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
• InChIKey: AJRUXHIEYSYRQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridin-2-ol
• IUPAC Traditional name: 6-fluoropyridin-2-ol
• Synonyms: 2-Fluoro-6-hydroxypyridine; 6-Fluoropyridin-2-ol; 6-Fluoro-2-pyridinol; 2-Fluoro-6-hydroxypyridine; 6-Fluoropyridin-2-ol; 2-氟-6-羟基吡啶

Database IDs

• CAS Number: 50543-23-2
• MDL Number: MFCD03092938
• PubChem SID: 161001510
• PubChem CID: 2762887

CALCULATED PROPERTIES

• Acid pKa: 10.436443
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5830933
• LogD (pH = 7.4): 1.582704
• Log P: 1.5830982
• Molar Refractivity: 27.4266 cm^3
• Polarizability: 9.795043 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125-129°C

Safety Information

• Storage Warning: 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%