1-(pyridin-2-yl)cyclopropane-1-carbonitrile

• ChemBase ID: 292332
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: N#CC1(CC1)c1ncccc1
• Canonical SMILES: N#CC1(CC1)c1ccccn1
• InChI: InChI=1S/C9H8N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5H2
• InChIKey: GAEVNPHZQRROPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)cyclopropane-1-carbonitrile
• IUPAC Traditional name: 1-(pyridin-2-yl)cyclopropane-1-carbonitrile
• Synonyms: 1-(Pyridin-2-yl)cyclopropanecarbonitrile

Database IDs

• CAS Number: 162960-28-3
• PubChem SID: 180677863
• PubChem CID: 18615674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4601225
• LogD (pH = 7.4): 1.4722387
• Log P: 1.4723955
• Molar Refractivity: 41.0893 cm^3
• Polarizability: 15.903119 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%