3-bromo-2-methoxy-6-methylpyridine

• ChemBase ID: 812756
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1c(c(nc(c1)C)OC)Br
• Canonical SMILES: COc1nc(C)ccc1Br
• InChI: InChI=1S/C7H8BrNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3
• InChIKey: KSFXMDCBPCLNCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 717843-47-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0923135
• LogD (pH = 7.4): 2.0924804
• Log P: 2.0924826
• Molar Refractivity: 42.8921 cm^3
• Polarizability: 16.595112 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%