2,6-diiodo-3,5-dimethoxypyridine

• ChemBase ID: 32492
• Molecular Formular: C7H7I2NO2
• Molecular Mass: 390.94492
• Monoisotopic Mass: 390.85662447
• SMILES: c1(c(nc(c(c1)OC)I)I)OC
• Canonical SMILES: COc1cc(OC)c(nc1I)I
• InChI: InChI=1S/C7H7I2NO2/c1-11-4-3-5(12-2)7(9)10-6(4)8/h3H,1-2H3
• InChIKey: HEJVCFGXTPOHNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diiodo-3,5-dimethoxypyridine
• IUPAC Traditional name: 2,6-diiodo-3,5-dimethoxypyridine
• Synonyms: 2,6-Diiodo-3,5-dimethoxypyridine; 2,6-Diiodo-3,5-dimethoxypyridine

Database IDs

• CAS Number: 1131335-49-3
• MDL Number: MFCD11857638
• PubChem SID: 160995799
• PubChem CID: 46736749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.363295
• LogD (pH = 7.4): 2.363295
• Log P: 2.363295
• Molar Refractivity: 62.9687 cm^3
• Polarizability: 25.490898 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H7I2NO2

DETAILS

Sigma Aldrich - ADE000500

Other Notes
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