4-ethylpyridine-2-carbonitrile

• ChemBase ID: 168728
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c1c(nccc1CC)C#N
• Canonical SMILES: CCc1ccnc(c1)C#N
• InChI: InChI=1S/C8H8N2/c1-2-7-3-4-10-8(5-7)6-9/h3-5H,2H2,1H3
• InChIKey: WSIWRNNXMDBVGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpyridine-2-carbonitrile
• IUPAC Traditional name: 4-ethylpyridine-2-carbonitrile
• Synonyms: 2-Cyano-4-ethylpyridine; 4-Ethyl-2-pyridinecarbonitrile

Database IDs

• CAS Number: 92486-38-9
• PubChem SID: 162262860
• PubChem CID: 14482378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9554452
• LogD (pH = 7.4): 1.9555092
• Log P: 1.9555099
• Molar Refractivity: 38.8929 cm^3
• Polarizability: 14.871037 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMSO
• Apperance: Light Green Oil