2-chloro-6-(piperidin-4-yl)pyridine

• ChemBase ID: 812351
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: n1c(cccc1C1CCNCC1)Cl
• Canonical SMILES: Clc1cccc(n1)C1CCNCC1
• InChI: InChI=1S/C10H13ClN2/c11-10-3-1-2-9(13-10)8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
• InChIKey: HRWXCVQRHBJKMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(piperidin-4-yl)pyridine
• Synonyms: 2-CHLORO-6-(PIPERIDIN-4-YL)-PYRIDINE

Database IDs

• CAS Number: 99202-32-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4018737
• LogD (pH = 7.4): -0.6659309
• Log P: 1.8147433
• Molar Refractivity: 54.7903 cm^3
• Polarizability: 21.282513 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%