2-ethyl-6-ethynylpyridine

• ChemBase ID: 799147
• Molecular Formular: C9H9N
• Molecular Mass: 131.17446
• Monoisotopic Mass: 131.07349929
• SMILES: n1c(cccc1C#C)CC
• Canonical SMILES: CCc1cccc(n1)C#C
• InChI: InChI=1S/C9H9N/c1-3-8-6-5-7-9(4-2)10-8/h1,5-7H,4H2,2H3
• InChIKey: GEHRQMUFIUAODY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-ethynylpyridine
• IUPAC Traditional name: 2-ethyl-6-ethynylpyridine
• Synonyms: 2-ethyl-6-ethynylpyridine

Database IDs

• CAS Number: 676343-10-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1028874
• LogD (pH = 7.4): 2.1238904
• Log P: 2.124165
• Molar Refractivity: 37.9198 cm^3
• Polarizability: 15.635141 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%