4-cyclopropylpyridine-3-carbonitrile

• ChemBase ID: 799177
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: c1(c(cncc1)C#N)C1CC1
• Canonical SMILES: N#Cc1cnccc1C1CC1
• InChI: InChI=1S/C9H8N2/c10-5-8-6-11-4-3-9(8)7-1-2-7/h3-4,6-7H,1-2H2
• InChIKey: YAFJSMQTZSFJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylpyridine-3-carbonitrile
• IUPAC Traditional name: 4-cyclopropylpyridine-3-carbonitrile
• Synonyms: 4-cyclopropylnicotinonitrile

Database IDs

• CAS Number: 503843-67-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3927907
• LogD (pH = 7.4): 1.3929508
• Log P: 1.3929528
• Molar Refractivity: 42.0113 cm^3
• Polarizability: 15.977089 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%