2,3-dibromo-6-methoxypyridine

• ChemBase ID: 294793
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: COc1ccc(Br)c(Br)n1
• Canonical SMILES: COc1ccc(c(n1)Br)Br
• InChI: InChI=1S/C6H5Br2NO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3
• InChIKey: RBJHXRAOMXXAMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-6-methoxypyridine
• IUPAC Traditional name: 2,3-dibromo-6-methoxypyridine
• Synonyms: 2,3-Dibromo-6-methoxypyridine

Database IDs

• CAS Number: 909720-21-4
• MDL Number: MFCD21648443
• PubChem SID: 180680324
• PubChem CID: 59389317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.935387
• LogD (pH = 7.4): 2.935387
• Log P: 2.935387
• Molar Refractivity: 46.7656 cm^3
• Polarizability: 18.041477 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%