1-(pyridin-3-yl)cyclopropane-1-carbonitrile

• ChemBase ID: 292326
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: N#CC1(CC1)c1cccnc1
• Canonical SMILES: N#CC1(CC1)c1cccnc1
• InChI: InChI=1S/C9H8N2/c10-7-9(3-4-9)8-2-1-5-11-6-8/h1-2,5-6H,3-4H2
• InChIKey: LVXJPQLOHFBBHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)cyclopropane-1-carbonitrile
• IUPAC Traditional name: 1-(pyridin-3-yl)cyclopropane-1-carbonitrile
• Synonyms: 1-(Pyridin-3-yl)cyclopropanecarbonitrile

Database IDs

• CAS Number: 170734-10-8
• PubChem SID: 180677857
• PubChem CID: 45079796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0199614
• LogD (pH = 7.4): 1.0856229
• Log P: 1.0865452
• Molar Refractivity: 41.4613 cm^3
• Polarizability: 15.902121 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%