3-(benzyloxy)-4-chloropyridine

• ChemBase ID: 287638
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: Clc1c(OCc2ccccc2)cncc1
• Canonical SMILES: Clc1ccncc1OCc1ccccc1
• InChI: InChI=1S/C12H10ClNO/c13-11-6-7-14-8-12(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: CDOQJEITYQJUNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-4-chloropyridine
• IUPAC Traditional name: 3-(benzyloxy)-4-chloropyridine
• Synonyms: 4-Chloro-3-(phenylmethoxy)pyridine

Database IDs

• CAS Number: 958266-09-6
• PubChem SID: 180673169
• PubChem CID: 23642583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9157012
• LogD (pH = 7.4): 2.926283
• Log P: 2.92642
• Molar Refractivity: 59.7817 cm^3
• Polarizability: 23.424139 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%