4-(benzyloxy)-2-chloropyridine

• ChemBase ID: 285920
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: c1c(nccc1OCc1ccccc1)Cl
• Canonical SMILES: Clc1nccc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H10ClNO/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: XZLZQERVHJHMAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-2-chloropyridine
• IUPAC Traditional name: 4-(benzyloxy)-2-chloropyridine
• Synonyms: 4-(benzyloxy)-2-chloropyridine

Database IDs

• MDL Number: MFCD11847315
• PubChem SID: 180671451
• PubChem CID: 53404197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1461349
• LogD (pH = 7.4): 3.1465912
• Log P: 3.1465971
• Molar Refractivity: 60.843 cm^3
• Polarizability: 23.463562 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 3.587

Product Information

• Purity: 95%