2-(1-ethynylcyclopentyl)pyridine

• ChemBase ID: 799501
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: n1c(cccc1)C1(CCCC1)C#C
• Canonical SMILES: C#CC1(CCCC1)c1ccccn1
• InChI: InChI=1S/C12H13N/c1-2-12(8-4-5-9-12)11-7-3-6-10-13-11/h1,3,6-7,10H,4-5,8-9H2
• InChIKey: NUIQCQYQHLRQGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethynylcyclopentyl)pyridine
• IUPAC Traditional name: 2-(1-ethynylcyclopentyl)pyridine
• Synonyms: 2-(1-ethynylcyclopentyl)pyridine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7352755
• LogD (pH = 7.4): 2.7491257
• Log P: 2.7493052
• Molar Refractivity: 52.6574 cm^3
• Polarizability: 20.516628 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%