2,6-diiodopyridine

• ChemBase ID: 16333
• Molecular Formular: C5H3I2N
• Molecular Mass: 330.89296
• Monoisotopic Mass: 330.8354951
• SMILES: c1c(nc(cc1)I)I
• Canonical SMILES: Ic1cccc(n1)I
• InChI: InChI=1S/C5H3I2N/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: IHBAEQUKKOAEES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diiodopyridine
• IUPAC Traditional name: 2,6-diiodopyridine
• Synonyms: 2,6-Diiodopyridine

Database IDs

• CAS Number: 53710-17-1
• MDL Number: MFCD07366728
• PubChem SID: 160979640
• PubChem CID: 11427514

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6786375
• LogD (pH = 7.4): 2.6786375
• Log P: 2.6786375
• Molar Refractivity: 50.0423 cm^3
• Polarizability: 20.356396 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179-180°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%; 98+%