2-bromo-6-iodo-3,4-dimethoxypyridine

• ChemBase ID: 65608
• Molecular Formular: C7H7BrINO2
• Molecular Mass: 343.94445
• Monoisotopic Mass: 342.87048847
• SMILES: c1c(nc(c(c1OC)OC)Br)I
• Canonical SMILES: COc1cc(I)nc(c1OC)Br
• InChI: InChI=1S/C7H7BrINO2/c1-11-4-3-5(9)10-7(8)6(4)12-2/h3H,1-2H3
• InChIKey: SSRDPRPPJXLYBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-iodo-3,4-dimethoxypyridine
• IUPAC Traditional name: 2-bromo-6-iodo-3,4-dimethoxypyridine
• Synonyms: 2-Bromo-6-iodo-3,4-dimethoxypyridine

Database IDs

• MDL Number: MFCD20487069
• PubChem SID: 162031347
• PubChem CID: 71299109

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3760374
• LogD (pH = 7.4): 2.3760376
• Log P: 2.3760376
• Molar Refractivity: 58.3631 cm^3
• Polarizability: 23.059284 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%