6-bromo-3-(chloromethyl)-2-methylpyridine

• ChemBase ID: 814093
• Molecular Formular: C7H7BrClN
• Molecular Mass: 220.49418
• Monoisotopic Mass: 218.94503891
• SMILES: n1c(c(ccc1Br)CCl)C
• Canonical SMILES: Cc1nc(Br)ccc1CCl
• InChI: InChI=1S/C7H7BrClN/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,4H2,1H3
• InChIKey: SXCIMAOSPFEAAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-(chloromethyl)-2-methylpyridine
• IUPAC Traditional name: 6-bromo-3-(chloromethyl)-2-methylpyridine
• Synonyms: 6-bromo-3-(chloromethyl)-2-methylpyridine

Database IDs

• CAS Number: 1196157-21-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4483387
• LogD (pH = 7.4): 2.4484587
• Log P: 2.4484603
• Molar Refractivity: 46.8245 cm^3
• Polarizability: 17.8045 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%