3-bromo-2-chloro-5-methoxypyridine

• ChemBase ID: 290647
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: COc1cnc(Cl)c(Br)c1
• Canonical SMILES: COc1cnc(c(c1)Br)Cl
• InChI: InChI=1S/C6H5BrClNO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
• InChIKey: OHABUHZFENICAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-chloro-5-methoxypyridine
• IUPAC Traditional name: 3-bromo-2-chloro-5-methoxypyridine
• Synonyms: 3-Bromo-2-chloro-5-methoxypyridine

Database IDs

• CAS Number: 1033202-44-6
• PubChem SID: 180676178
• PubChem CID: 46738814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1908765
• LogD (pH = 7.4): 2.1908765
• Log P: 2.1908765
• Molar Refractivity: 43.8532 cm^3
• Polarizability: 16.910587 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%