3,5-dibromo-2-iodopyridine

• ChemBase ID: 92235
• Molecular Formular: C5H2Br2IN
• Molecular Mass: 362.78855
• Monoisotopic Mass: 360.75987107
• SMILES: n1c(c(cc(c1)Br)Br)I
• Canonical SMILES: Brc1cnc(c(c1)Br)I
• InChI: InChI=1S/C5H2Br2IN/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: PZQKNKIWCXCOCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-iodopyridine
• IUPAC Traditional name: 3,5-dibromo-2-iodopyridine
• Synonyms: 3,5-Dibromo-2-iodopyridine

Database IDs

• MDL Number: MFCD08543470
• PubChem SID: 162078933
• PubChem CID: 26967552

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2546108
• LogD (pH = 7.4): 3.2546108
• Log P: 3.2546108
• Molar Refractivity: 52.2173 cm^3
• Polarizability: 21.132927 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true