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

• ChemBase ID: 91003
• Molecular Formular: C7H7BrIN
• Molecular Mass: 311.94565
• Monoisotopic Mass: 310.88065923
• SMILES: n1c(c(c(cc1C)C)I)Br
• Canonical SMILES: Cc1cc(C)c(c(n1)Br)I
• InChI: InChI=1S/C7H7BrIN/c1-4-3-5(2)10-7(8)6(4)9/h3H,1-2H3
• InChIKey: QGLNGCQCYJPFKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-iodo-4,6-dimethylpyridine
• IUPAC Traditional name: 2-bromo-3-iodo-4,6-dimethylpyridine
• Synonyms: 2-Bromo-3-iodo-4,6-dimethylpyridine 97%

Database IDs

• MDL Number: MFCD08235250
• PubChem SID: 162077707
• PubChem CID: 13546463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3035429
• LogD (pH = 7.4): 3.3035836
• Log P: 3.303584
• Molar Refractivity: 55.3613 cm^3
• Polarizability: 21.277359 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true