3-bromo-2-ethyl-6-methoxypyridine

• ChemBase ID: 813810
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(c(ccc1OC)Br)CC
• Canonical SMILES: CCc1nc(OC)ccc1Br
• InChI: InChI=1S/C8H10BrNO/c1-3-7-6(9)4-5-8(10-7)11-2/h4-5H,3H2,1-2H3
• InChIKey: GWLSRJOABGHOOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-ethyl-6-methoxypyridine
• IUPAC Traditional name: 3-bromo-2-ethyl-6-methoxypyridine
• Synonyms: 3-bromo-2-ethyl-6-methoxypyridine

Database IDs

• CAS Number: 848360-86-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7929068
• LogD (pH = 7.4): 2.793017
• Log P: 2.7930183
• Molar Refractivity: 47.519 cm^3
• Polarizability: 18.39597 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%