3,5-dibromo-4-methoxypyridine

• ChemBase ID: 288936
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: COc1c(Br)cncc1Br
• Canonical SMILES: COc1c(Br)cncc1Br
• InChI: InChI=1S/C6H5Br2NO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
• InChIKey: VITQLRNAXLKYCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-4-methoxypyridine
• IUPAC Traditional name: 3,5-dibromo-4-methoxypyridine
• Synonyms: 3,5-Dibromo-4-methoxypyridine

Database IDs

• CAS Number: 25813-24-5
• MDL Number: MFCD13185524
• PubChem SID: 180674467
• PubChem CID: 21766026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1326573
• LogD (pH = 7.4): 2.1353726
• Log P: 2.1354074
• Molar Refractivity: 45.6099 cm^3
• Polarizability: 17.998909 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%