6-fluoropyridin-3-ol

• ChemBase ID: 66658
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1(ccc(cn1)O)F
• Canonical SMILES: Fc1ccc(cn1)O
• InChI: InChI=1S/C5H4FNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
• InChIKey: HTRLNWYWOKWCLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridin-3-ol
• IUPAC Traditional name: 6-fluoropyridin-3-ol
• Synonyms: 6-fluoropyridin-3-ol; 6-Fluoro-3-pyridinol; 2-Fluoro-5-hydroxypyridine; 2-Fluoro-5-hydroxypyridine 98%; 2-Fluoro-5-hydroxypyridine; 2-氟-5-羟基吡啶

Database IDs

• CAS Number: 55758-32-2
• MDL Number: MFCD01075040
• PubChem SID: 162032395
• PubChem CID: 2763108

CALCULATED PROPERTIES

• Acid pKa: 8.485691
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.98820007
• LogD (pH = 7.4): 0.95502144
• Log P: 0.98864067
• Molar Refractivity: 27.1131 cm^3
• Polarizability: 9.792744 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145-148°C; 150-153°C
• Hydrophobicity(logP): 1.204

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon/Keep Cold
• 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%; 95+%; 98%