1-(pyridin-2-yl)cyclopentane-1-carbaldehyde

• ChemBase ID: 799500
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: C1(CCCC1)(C=O)c1ncccc1
• Canonical SMILES: O=CC1(CCCC1)c1ccccn1
• InChI: InChI=1S/C11H13NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8-9H,2-3,6-7H2
• InChIKey: CHDBPIAXVQEAKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)cyclopentane-1-carbaldehyde
• IUPAC Traditional name: 1-(pyridin-2-yl)cyclopentane-1-carbaldehyde
• Synonyms: 1-(pyridin-2-yl)cyclopentanecarbaldehyde

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1251493
• LogD (pH = 7.4): 2.1447122
• Log P: 2.1449678
• Molar Refractivity: 50.3866 cm^3
• Polarizability: 19.81904 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%