5-bromo-4-chloro-2-methoxypyridine

• ChemBase ID: 287918
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: COc1ncc(Br)c(Cl)c1
• Canonical SMILES: COc1ncc(c(c1)Cl)Br
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3
• InChIKey: KTPLBYFKHPABLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-chloro-2-methoxypyridine
• IUPAC Traditional name: 5-bromo-4-chloro-2-methoxypyridine
• Synonyms: 5-Bromo-4-chloro-2-methoxypyridine

Database IDs

• CAS Number: 851607-27-7
• PubChem SID: 180673449
• PubChem CID: 23133649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5651543
• LogD (pH = 7.4): 2.565157
• Log P: 2.565157
• Molar Refractivity: 43.1054 cm^3
• Polarizability: 16.86795 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%