3-bromo-6-ethoxy-2-methylpyridine

• ChemBase ID: 290881
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: Cc1nc(OCC)ccc1Br
• Canonical SMILES: Cc1nc(OCC)ccc1Br
• InChI: InChI=1S/C8H10BrNO/c1-3-11-8-5-4-7(9)6(2)10-8/h4-5H,3H2,1-2H3
• InChIKey: GEBGDYWVDOXQAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-ethoxy-2-methylpyridine
• IUPAC Traditional name: 3-bromo-6-ethoxy-2-methylpyridine
• Synonyms: 3-Bromo-6-ethoxy-2-methylpyridine

Database IDs

• CAS Number: 610278-93-8
• PubChem SID: 180676412
• PubChem CID: 4738463

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4491358
• LogD (pH = 7.4): 2.4492884
• Log P: 2.4492905
• Molar Refractivity: 47.6407 cm^3
• Polarizability: 18.396412 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%