3-bromo-2-ethoxy-5-methylpyridine

• ChemBase ID: 77791
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(c(cc(c1)C)Br)OCC
• Canonical SMILES: CCOc1ncc(cc1Br)C
• InChI: InChI=1S/C8H10BrNO/c1-3-11-8-7(9)4-6(2)5-10-8/h4-5H,3H2,1-2H3
• InChIKey: QZWWAXJNZMPWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-ethoxy-5-methylpyridine
• IUPAC Traditional name: 3-bromo-2-ethoxy-5-methylpyridine
• Synonyms: 3-Bromo-2-ethoxy-5-methylpyridine

Database IDs

• CAS Number: 760207-82-7
• PubChem SID: 162042656
• PubChem CID: 22591175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8312643
• LogD (pH = 7.4): 2.8313406
• Log P: 2.8313415
• Molar Refractivity: 48.0904 cm^3
• Polarizability: 18.401762 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant