3-(benzyloxy)-2-fluoropyridine

• ChemBase ID: 248010
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(ncccc1OCc1ccccc1)F
• Canonical SMILES: Fc1ncccc1OCc1ccccc1
• InChI: InChI=1S/C12H10FNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2
• InChIKey: GZPOVSFQACAIFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-2-fluoropyridine
• IUPAC Traditional name: 3-(benzyloxy)-2-fluoropyridine
• Synonyms: 3-(benzyloxy)-2-fluoropyridine

Database IDs

• PubChem SID: 164303920
• PubChem CID: 53865789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8590078
• LogD (pH = 7.4): 2.8590078
• Log P: 2.8590078
• Molar Refractivity: 56.208 cm^3
• Polarizability: 21.19187 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): 2.817

Product Information

• Purity: 95%