3-iodo-2,5,6-trimethoxypyridine

• ChemBase ID: 65640
• Molecular Formular: C8H10INO3
• Molecular Mass: 295.07437
• Monoisotopic Mass: 294.97054119
• SMILES: c1(c(nc(c(c1)OC)OC)OC)I
• Canonical SMILES: COc1nc(OC)c(cc1OC)I
• InChI: InChI=1S/C8H10INO3/c1-11-6-4-5(9)7(12-2)10-8(6)13-3/h4H,1-3H3
• InChIKey: CSQOXTJFAZCQAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-2,5,6-trimethoxypyridine
• IUPAC Traditional name: 3-iodo-2,5,6-trimethoxypyridine
• Synonyms: 3-Iodo-2,5,6-trimethoxypyridine

Database IDs

• MDL Number: MFCD21609477
• PubChem SID: 162031379
• PubChem CID: 71299132

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4004185
• LogD (pH = 7.4): 2.4004192
• Log P: 2.4004192
• Molar Refractivity: 57.2802 cm^3
• Polarizability: 22.374521 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%