4-bromo-2-ethoxypyridine

• ChemBase ID: 815993
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(cc(cc1)Br)OCC
• Canonical SMILES: CCOc1cc(Br)ccn1
• InChI: InChI=1S/C7H8BrNO/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3
• InChIKey: XHPRAYURZWKYAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-ethoxypyridine
• IUPAC Traditional name: 4-bromo-2-ethoxypyridine
• Synonyms: 4-BROMO-2-ETHOXYPYRIDINE

Database IDs

• CAS Number: 57883-26-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.317834
• LogD (pH = 7.4): 2.3179193
• Log P: 2.3179202
• Molar Refractivity: 43.0492 cm^3
• Polarizability: 16.652397 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%