2,6-dibromo-3-iodopyridine

• ChemBase ID: 50505
• Molecular Formular: C5H2Br2IN
• Molecular Mass: 362.78855
• Monoisotopic Mass: 360.75987107
• SMILES: c1(c(ccc(n1)Br)I)Br
• Canonical SMILES: Brc1ccc(c(n1)Br)I
• InChI: InChI=1S/C5H2Br2IN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: KULZLYLYQOLOJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-3-iodopyridine
• IUPAC Traditional name: 2,6-dibromo-3-iodopyridine
• Synonyms: 2,6-Dibromo-3-iodopyridine

Database IDs

• CAS Number: 1032582-80-1
• MDL Number: MFCD13185520
• PubChem SID: 162055268
• PubChem CID: 51039299

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6330671
• LogD (pH = 7.4): 3.6330671
• Log P: 3.6330671
• Molar Refractivity: 54.1936 cm^3
• Polarizability: 21.150944 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%