2-bromo-3-ethoxypyridine

• ChemBase ID: 116751
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1(ncccc1OCC)Br
• Canonical SMILES: CCOc1cccnc1Br
• InChI: InChI=1S/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
• InChIKey: REVXDUVZKACDQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-ethoxypyridine
• IUPAC Traditional name: 2-bromo-3-ethoxypyridine
• Synonyms: 2-Bromo-3-ethoxypyridine

Database IDs

• CAS Number: 89694-54-2
• MDL Number: MFCD00234312
• PubChem SID: 162101740
• PubChem CID: 10631926

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9289632
• LogD (pH = 7.4): 1.9289844
• Log P: 1.9289848
• Molar Refractivity: 43.5779 cm^3
• Polarizability: 16.709244 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.172

Product Information

• Purity: 95+%