5-(benzyloxy)-2,3-dichloropyridine

• ChemBase ID: 290635
• Molecular Formular: C12H9Cl2NO
• Molecular Mass: 254.11196
• Monoisotopic Mass: 253.00611927
• SMILES: Clc1cc(OCc2ccccc2)cnc1Cl
• Canonical SMILES: Clc1ncc(cc1Cl)OCc1ccccc1
• InChI: InChI=1S/C12H9Cl2NO/c13-11-6-10(7-15-12(11)14)16-8-9-4-2-1-3-5-9/h1-7H,8H2
• InChIKey: MBKDILGRPWWOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)-2,3-dichloropyridine
• IUPAC Traditional name: 5-(benzyloxy)-2,3-dichloropyridine
• Synonyms: 5-(Benzyloxy)-2,3-dichloropyridine

Database IDs

• CAS Number: 1314987-39-7
• PubChem SID: 180676166
• PubChem CID: 54758822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7506416
• LogD (pH = 7.4): 3.7506418
• Log P: 3.7506418
• Molar Refractivity: 65.6478 cm^3
• Polarizability: 25.393167 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%