4-bromo-3-methoxy-2-methylpyridine

• ChemBase ID: 795919
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(c(c(cc1)Br)OC)C
• Canonical SMILES: COc1c(Br)ccnc1C
• InChI: InChI=1S/C7H8BrNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
• InChIKey: FMULTJAREUPAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3-methoxy-2-methylpyridine
• IUPAC Traditional name: 4-bromo-3-methoxy-2-methylpyridine
• Synonyms: Pyridine, 4-bromo-3-methoxy-2-methyl-

Database IDs

• CAS Number: 1227592-47-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4488626
• LogD (pH = 7.4): 1.4973673
• Log P: 1.498025
• Molar Refractivity: 42.5786 cm^3
• Polarizability: 16.588873 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%