2-chloro-5-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 33503
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: C(=O)(c1cnc(cc1)Cl)N1CCCCC1
• Canonical SMILES: Clc1ccc(cn1)C(=O)N1CCCCC1
• InChI: InChI=1S/C11H13ClN2O/c12-10-5-4-9(8-13-10)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
• InChIKey: UNUHFUYOKPBTJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(piperidine-1-carbonyl)pyridine
• Synonyms: 2-Chloro-5-(piperidin-1-ylcarbonyl)pyridine; 2-chloro-5-(1-piperidinylcarbonyl)pyridine

Database IDs

• CAS Number: 64614-48-8
• MDL Number: MFCD02944038
• PubChem SID: 160996810
• PubChem CID: 857496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7281531
• LogD (pH = 7.4): 1.7281538
• Log P: 1.7281538
• Molar Refractivity: 60.781 cm^3
• Polarizability: 22.700947 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false