2-(2-bromophenoxymethyl)pyridine

• ChemBase ID: 290632
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: Brc1ccccc1OCc1ncccc1
• Canonical SMILES: Brc1ccccc1OCc1ccccn1
• InChI: InChI=1S/C12H10BrNO/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h1-8H,9H2
• InChIKey: APVLSMPTXATIRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenoxymethyl)pyridine
• IUPAC Traditional name: 2-(2-bromophenoxymethyl)pyridine
• Synonyms: 2-((2-Bromophenoxy)methyl)pyridine

Database IDs

• CAS Number: 1016531-68-2
• PubChem SID: 180676163
• PubChem CID: 24689428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1647255
• LogD (pH = 7.4): 3.1724997
• Log P: 3.1725998
• Molar Refractivity: 62.0775 cm^3
• Polarizability: 24.275818 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%