2,3-diiodopyridine

• ChemBase ID: 16261
• Molecular Formular: C5H3I2N
• Molecular Mass: 330.89296
• Monoisotopic Mass: 330.8354951
• SMILES: c1cnc(c(c1)I)I
• Canonical SMILES: Ic1ncccc1I
• InChI: InChI=1S/C5H3I2N/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: AQWGOTHUVVKPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diiodopyridine
• IUPAC Traditional name: 2,3-diiodopyridine
• Synonyms: 2,3-Diiodo-pyridine; 2,3-Diiodopyridine; 2,3-Diiodo-pyridine

Database IDs

• CAS Number: 83674-70-8
• MDL Number: MFCD06658996
• PubChem SID: 160979568
• PubChem CID: 12759111

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6460485
• LogD (pH = 7.4): 2.64605
• Log P: 2.64605
• Molar Refractivity: 50.3342 cm^3
• Polarizability: 20.294199 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64.7-64.9°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H3I2N

DETAILS

Sigma Aldrich - ADE000256

Other Notes
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