2-chloro-6-(piperidin-1-yl)pyridine

• ChemBase ID: 48676
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: n1c(N2CCCCC2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C10H13ClN2/c11-9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2
• InChIKey: RLCPWOMTHWJBGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(piperidin-1-yl)pyridine
• Synonyms: 2-Chloro-6-(1-piperidinyl)pyridine

Database IDs

• MDL Number: MFCD13561951
• PubChem SID: 162053439
• PubChem CID: 14322669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1322124
• LogD (pH = 7.4): 3.132657
• Log P: 3.1326628
• Molar Refractivity: 56.6513 cm^3
• Polarizability: 20.976408 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false