2-bromo-6-(4-methoxyphenyl)pyridine

• ChemBase ID: 795817
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: n1c(cccc1c1ccc(cc1)OC)Br
• Canonical SMILES: COc1ccc(cc1)c1cccc(n1)Br
• InChI: InChI=1S/C12H10BrNO/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(13)14-11/h2-8H,1H3
• InChIKey: GBHNQKHQOCSREW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(4-methoxyphenyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(4-methoxyphenyl)pyridine
• Synonyms: 2-BroMo-6-(4-Methoxyphenyl)pyridine

Database IDs

• CAS Number: 193344-39-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6052413
• LogD (pH = 7.4): 3.6052523
• Log P: 3.6052525
• Molar Refractivity: 63.5935 cm^3
• Polarizability: 25.619968 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%