3-bromo-6-methoxy-2,4-dimethylpyridine

• ChemBase ID: 294693
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: Cc1c(Br)c(C)nc(OC)c1
• Canonical SMILES: COc1cc(C)c(c(n1)C)Br
• InChI: InChI=1S/C8H10BrNO/c1-5-4-7(11-3)10-6(2)8(5)9/h4H,1-3H3
• InChIKey: SZDHVOMPLABLPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methoxy-2,4-dimethylpyridine
• IUPAC Traditional name: 3-bromo-6-methoxy-2,4-dimethylpyridine
• Synonyms: 3-Bromo-6-methoxy-2,4-dimethylpyridine

Database IDs

• CAS Number: 819069-57-3
• MDL Number: MFCD17169935
• PubChem SID: 180680224
• PubChem CID: 11241381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.604323
• LogD (pH = 7.4): 2.6058838
• Log P: 2.6059039
• Molar Refractivity: 47.9333 cm^3
• Polarizability: 18.326786 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%