5-bromo-2-ethoxy-4-methylpyridine

• ChemBase ID: 290916
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: Cc1cc(OCC)ncc1Br
• Canonical SMILES: Cc1cc(OCC)ncc1Br
• InChI: InChI=1S/C8H10BrNO/c1-3-11-8-4-6(2)7(9)5-10-8/h4-5H,3H2,1-2H3
• InChIKey: YHBHSFKVMVMPGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethoxy-4-methylpyridine
• IUPAC Traditional name: 5-bromo-2-ethoxy-4-methylpyridine
• Synonyms: 5-Bromo-2-ethoxy-4-methylpyridine

Database IDs

• CAS Number: 610279-04-4
• PubChem SID: 180676447
• PubChem CID: 4738480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8311763
• LogD (pH = 7.4): 2.8313396
• Log P: 2.8313415
• Molar Refractivity: 48.0904 cm^3
• Polarizability: 18.394775 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%