2-ethoxy-3-ethynylpyridine

• ChemBase ID: 813992
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: n1c(c(ccc1)C#C)OCC
• Canonical SMILES: CCOc1ncccc1C#C
• InChI: InChI=1S/C9H9NO/c1-3-8-6-5-7-10-9(8)11-4-2/h1,5-7H,4H2,2H3
• InChIKey: KTAKQDZMXOWRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-ethynylpyridine
• IUPAC Traditional name: 2-ethoxy-3-ethynylpyridine
• Synonyms: 2-ethoxy-3-ethynylpyridine

Database IDs

• CAS Number: 1196156-40-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6997974
• LogD (pH = 7.4): 1.7000003
• Log P: 1.7000029
• Molar Refractivity: 40.5987 cm^3
• Polarizability: 16.369673 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%