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

• ChemBase ID: 299490
• Molecular Formular: C12H15ClN2O
• Molecular Mass: 238.7133
• Monoisotopic Mass: 238.08729079
• SMILES: CC1CCN(CC1)C(=O)c1ccnc(c1)Cl
• Canonical SMILES: CC1CCN(CC1)C(=O)c1ccnc(c1)Cl
• InChI: InChI=1S/C12H15ClN2O/c1-9-3-6-15(7-4-9)12(16)10-2-5-14-11(13)8-10/h2,5,8-9H,3-4,6-7H2,1H3
• InChIKey: YCSVMTYAUWCHCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(4-methylpiperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-chloro-4-(4-methylpiperidine-1-carbonyl)pyridine
• Synonyms: 1-(2-Chloro-4-pyridylcarbonyl)-4-methylpiperidine

Database IDs

• CAS Number: 1019405-64-1
• MDL Number: MFCD11128604
• PubChem SID: 180685021
• PubChem CID: 28375972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0151725
• LogD (pH = 7.4): 2.015173
• Log P: 2.015173
• Molar Refractivity: 65.3296 cm^3
• Polarizability: 24.532848 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-62
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%