2-bromo-3-methoxy-6-methylpyridine

• ChemBase ID: 308436
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(c(ccc1C)OC)Br
• Canonical SMILES: COc1ccc(nc1Br)C
• InChI: InChI=1S/C7H8BrNO/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3
• InChIKey: OUJFCUIDDZMCCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-methoxy-6-methylpyridine
• IUPAC Traditional name: 2-bromo-3-methoxy-6-methylpyridine
• Synonyms: 2-bromo-3-methoxy-6-methylpyridine

Database IDs

• CAS Number: 24207-22-5
• MDL Number: MFCD06655940

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7034619
• LogD (pH = 7.4): 1.7035458
• Log P: 1.7035469
• Molar Refractivity: 43.4208 cm^3
• Polarizability: 16.640387 Å^3
• Polar Surface Area: 22.12 Å^2

PROPERTIES

Product Information

• Purity: 98%