6-ethylpyridine-2-carbonitrile

• ChemBase ID: 289282
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: CCc1nc(ccc1)C#N
• Canonical SMILES: CCc1cccc(n1)C#N
• InChI: InChI=1S/C8H8N2/c1-2-7-4-3-5-8(6-9)10-7/h3-5H,2H2,1H3
• InChIKey: WVFOQWQNCDNIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylpyridine-2-carbonitrile
• IUPAC Traditional name: 6-ethylpyridine-2-carbonitrile
• Synonyms: 6-Ethylpicolinonitrile

Database IDs

• CAS Number: 59146-66-6
• PubChem SID: 180674813
• PubChem CID: 12954801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8293774
• LogD (pH = 7.4): 1.8294253
• Log P: 1.8294259
• Molar Refractivity: 38.4691 cm^3
• Polarizability: 14.872945 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%