4-bromo-5-chloro-2-methoxypyridine

• ChemBase ID: 291359
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: COc1ncc(Cl)c(Br)c1
• Canonical SMILES: COc1ncc(c(c1)Br)Cl
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,1H3
• InChIKey: RSSHUQXUQXYECT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211534-25-6
• MDL Number: MFCD16609882
• PubChem SID: 180676890
• PubChem CID: 70700260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.565156
• LogD (pH = 7.4): 2.565157
• Log P: 2.565157
• Molar Refractivity: 43.1054 cm^3
• Polarizability: 16.866947 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%