5-bromo-3-methoxy-2-methylpyridine

• ChemBase ID: 294578
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: COc1cc(Br)cnc1C
• Canonical SMILES: COc1cc(Br)cnc1C
• InChI: InChI=1S/C7H8BrNO/c1-5-7(10-2)3-6(8)4-9-5/h3-4H,1-2H3
• InChIKey: FAWLCNSUYFGYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-methoxy-2-methylpyridine
• IUPAC Traditional name: 5-bromo-3-methoxy-2-methylpyridine
• Synonyms: 5-Bromo-3-methoxy-2-methylpyridine

Database IDs

• CAS Number: 1150617-80-3
• MDL Number: MFCD12024422
• PubChem SID: 180680109
• PubChem CID: 40151833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4870833
• LogD (pH = 7.4): 1.4978853
• Log P: 1.498025
• Molar Refractivity: 42.5786 cm^3
• Polarizability: 16.586254 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%