2-fluoropyridin-4-ol

• ChemBase ID: 67991
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1(cc(ccn1)O)F
• Canonical SMILES: Oc1ccnc(c1)F
• InChI: InChI=1S/C5H4FNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
• InChIKey: BRLSDLHMGRDAPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridin-4-ol
• IUPAC Traditional name: 2-fluoropyridin-4-ol
• Synonyms: 2-Fluoropyridin-4-ol; 2-Fluoropyridin-4-ol; 2-Fluoro-4-hydroxypyridine; 2-Fluoro-4-hydroxypyridine; 2-氟-4-羟基吡啶

Database IDs

• CAS Number: 22282-69-5
• MDL Number: MFCD04114159
• PubChem SID: 162033723
• PubChem CID: 2762834

CALCULATED PROPERTIES

• Acid pKa: 9.129373
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9885406
• LogD (pH = 7.4): 0.980772
• Log P: 0.98864067
• Molar Refractivity: 27.1131 cm^3
• Polarizability: 9.789548 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-149°C; 146-149°C

Safety Information

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

Product Information

• Purity: 95+%; 97%; 98%