5-ethyl-2-(oxiran-2-yl)pyridine

• ChemBase ID: 799184
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: n1c(ccc(c1)CC)C1OC1
• Canonical SMILES: CCc1ccc(nc1)C1OC1
• InChI: InChI=1S/C9H11NO/c1-2-7-3-4-8(10-5-7)9-6-11-9/h3-5,9H,2,6H2,1H3
• InChIKey: IETPZJCIUXNJTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-(oxiran-2-yl)pyridine
• IUPAC Traditional name: 5-ethyl-2-(oxiran-2-yl)pyridine
• Synonyms: 5-ethyl-2-(oxiran-2-yl)pyridine

Database IDs

• CAS Number: 471295-97-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6953939
• LogD (pH = 7.4): 1.71104
• Log P: 1.7112434
• Molar Refractivity: 42.3645 cm^3
• Polarizability: 16.67383 Å^3
• Polar Surface Area: 25.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%