6-iodo-2,3-dimethoxypyridine

• ChemBase ID: 32463
• Molecular Formular: C7H8INO2
• Molecular Mass: 265.04839
• Monoisotopic Mass: 264.9599765
• SMILES: c1c(nc(c(c1)OC)OC)I
• Canonical SMILES: COc1nc(I)ccc1OC
• InChI: InChI=1S/C7H8INO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
• InChIKey: FTFRZLORDYKKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-2,3-dimethoxypyridine
• IUPAC Traditional name: 6-iodo-2,3-dimethoxypyridine
• Synonyms: 6-Iodo-2,3-dimethoxypyridine

Database IDs

• CAS Number: 321535-23-3
• MDL Number: MFCD09909431
• PubChem SID: 160995770
• PubChem CID: 45361746

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9962202
• LogD (pH = 7.4): 1.9962205
• Log P: 1.9962205
• Molar Refractivity: 50.2116 cm^3
• Polarizability: 19.869621 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%