3-bromo-5-methoxy-4-methylpyridine

• ChemBase ID: 798903
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1cc(c(c(c1)OC)C)Br
• Canonical SMILES: COc1cncc(c1C)Br
• InChI: InChI=1S/C7H8BrNO/c1-5-6(8)3-9-4-7(5)10-2/h3-4H,1-2H3
• InChIKey: HOJSFKYTLBAFCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-methoxy-4-methylpyridine
• IUPAC Traditional name: 3-bromo-5-methoxy-4-methylpyridine
• Synonyms: 3-bromo-5-methoxy-4-methyl-pyridine

Database IDs

• CAS Number: 70201-49-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8630226
• LogD (pH = 7.4): 1.8798562
• Log P: 1.8800762
• Molar Refractivity: 43.0283 cm^3
• Polarizability: 16.585846 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%