2-cyclopropyl-5-ethynylpyridine

• ChemBase ID: 796881
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: n1c(ccc(c1)C#C)C1CC1
• Canonical SMILES: C#Cc1ccc(nc1)C1CC1
• InChI: InChI=1S/C10H9N/c1-2-8-3-6-10(11-7-8)9-4-5-9/h1,3,6-7,9H,4-5H2
• InChIKey: FONCFFVGYOOJQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-5-ethynylpyridine
• IUPAC Traditional name: 2-cyclopropyl-5-ethynylpyridine
• Synonyms: 2-Cyclopropyl-5-ethynylpyridine

Database IDs

• CAS Number: 1256817-44-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7868528
• LogD (pH = 7.4): 1.8171734
• Log P: 1.8175751
• Molar Refractivity: 41.0641 cm^3
• Polarizability: 16.73757 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%