2-(3-bromophenoxymethyl)pyridine

• ChemBase ID: 290633
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: Brc1cc(OCc2ncccc2)ccc1
• Canonical SMILES: Brc1cccc(c1)OCc1ccccn1
• InChI: InChI=1S/C12H10BrNO/c13-10-4-3-6-12(8-10)15-9-11-5-1-2-7-14-11/h1-8H,9H2
• InChIKey: IUFXJEPKUCXNNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenoxymethyl)pyridine
• IUPAC Traditional name: 2-(3-bromophenoxymethyl)pyridine
• Synonyms: 2-((3-Bromophenoxy)methyl)pyridine

Database IDs

• CAS Number: 488799-65-1
• PubChem SID: 180676164
• PubChem CID: 22285283

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1647253
• LogD (pH = 7.4): 3.1724997
• Log P: 3.1725998
• Molar Refractivity: 62.0775 cm^3
• Polarizability: 24.2687 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%