5-(2-bromoethyl)-2-methoxypyridine

• ChemBase ID: 801467
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(ccc(c1)CCBr)OC
• Canonical SMILES: BrCCc1ccc(nc1)OC
• InChI: InChI=1S/C8H10BrNO/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4-5H2,1H3
• InChIKey: HDMIQDOSXQQYBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-bromoethyl)-2-methoxypyridine
• IUPAC Traditional name: 5-(2-bromoethyl)-2-methoxypyridine
• Synonyms: 5-(2-BROMOETHYL)-2-METHOXYPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2512434
• LogD (pH = 7.4): 2.2537265
• Log P: 2.2537582
• Molar Refractivity: 48.2832 cm^3
• Polarizability: 18.29822 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%