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

• ChemBase ID: 249287
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: C(=O)(c1cc(ccn1)Cl)N1CCCCC1
• Canonical SMILES: O=C(c1nccc(c1)Cl)N1CCCCC1
• InChI: InChI=1S/C11H13ClN2O/c12-9-4-5-13-10(8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
• InChIKey: CXAYZALESVPCFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 4-chloro-2-(piperidine-1-carbonyl)pyridine
• Synonyms: 4-chloro-2-(piperidin-1-ylcarbonyl)pyridine

Database IDs

• MDL Number: MFCD06655679
• PubChem SID: 164305197
• PubChem CID: 4962251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8938254
• LogD (pH = 7.4): 1.893827
• Log P: 1.893827
• Molar Refractivity: 59.3477 cm^3
• Polarizability: 22.64634 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 1.449

Product Information

• Purity: 95%