2-(2-bromoethyl)-5-methoxypyridine

• ChemBase ID: 801807
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(ccc(c1)OC)CCBr
• Canonical SMILES: BrCCc1ccc(cn1)OC
• InChI: InChI=1S/C8H10BrNO/c1-11-8-3-2-7(4-5-9)10-6-8/h2-3,6H,4-5H2,1H3
• InChIKey: APSJCDONBCPUSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1260663-55-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5728447
• LogD (pH = 7.4): 1.68743
• Log P: 1.6891241
• Molar Refractivity: 47.3919 cm^3
• Polarizability: 18.296185 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%