2-propylpyridine-3-carbonitrile

• ChemBase ID: 811202
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: c1c(c(ncc1)CCC)C#N
• Canonical SMILES: CCCc1ncccc1C#N
• InChI: InChI=1S/C9H10N2/c1-2-4-9-8(7-10)5-3-6-11-9/h3,5-6H,2,4H2,1H3
• InChIKey: YDYLBUQILWCDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-propylpyridine-3-carbonitrile
• Synonyms: 2-PROPYL-NICOTINONITRILE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8879766
• LogD (pH = 7.4): 1.8881421
• Log P: 1.8881443
• Molar Refractivity: 43.4421 cm^3
• Polarizability: 16.712572 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%