5-chloro-2-(piperidin-4-yl)pyridine

• ChemBase ID: 813922
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: n1c(ccc(c1)Cl)C1CCNCC1
• Canonical SMILES: Clc1ccc(nc1)C1CCNCC1
• InChI: InChI=1S/C10H13ClN2/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
• InChIKey: MSOARNQBWUWZMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 5-chloro-2-(piperidin-4-yl)pyridine
• Synonyms: 5-chloro-2-(piperidin-4-yl)pyridine

Database IDs

• CAS Number: 210917-83-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6226201
• LogD (pH = 7.4): -0.8934718
• Log P: 1.5945661
• Molar Refractivity: 53.729 cm^3
• Polarizability: 21.23161 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%