3-(benzyloxy)-5-chloro-2-ethoxypyridine

• ChemBase ID: 290601
• Molecular Formular: C14H14ClNO2
• Molecular Mass: 263.71946
• Monoisotopic Mass: 263.07130637
• SMILES: CCOc1ncc(Cl)cc1OCc1ccccc1
• Canonical SMILES: CCOc1ncc(cc1OCc1ccccc1)Cl
• InChI: InChI=1S/C14H14ClNO2/c1-2-17-14-13(8-12(15)9-16-14)18-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
• InChIKey: BCAHLCQXFXIFIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-5-chloro-2-ethoxypyridine
• IUPAC Traditional name: 3-(benzyloxy)-5-chloro-2-ethoxypyridine
• Synonyms: 3-(Benzyloxy)-5-chloro-2-ethoxypyridine

Database IDs

• CAS Number: 1245563-13-6
• PubChem SID: 180676132
• PubChem CID: 53217400

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7200065
• LogD (pH = 7.4): 3.720014
• Log P: 3.720014
• Molar Refractivity: 71.307 cm^3
• Polarizability: 27.78336 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%