1-(6-chloropyridin-2-yl)cyclopropane-1-carbonitrile

• ChemBase ID: 801361
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: C1(CC1)(C#N)c1nc(ccc1)Cl
• Canonical SMILES: N#CC1(CC1)c1cccc(n1)Cl
• InChI: InChI=1S/C9H7ClN2/c10-8-3-1-2-7(12-8)9(6-11)4-5-9/h1-3H,4-5H2
• InChIKey: WRGUAFTXDCJCGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-chloropyridin-2-yl)cyclopropane-1-carbonitrile
• IUPAC Traditional name: 1-(6-chloropyridin-2-yl)cyclopropane-1-carbonitrile
• Synonyms: 1-(6-CHLOROPYRIDIN-2-YL)CYCLOPROPANECARBONITRILE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.296616
• LogD (pH = 7.4): 2.2966173
• Log P: 2.2966175
• Molar Refractivity: 46.9554 cm^3
• Polarizability: 17.848648 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%