2-chloro-N-ethyl-N-methylpyridine-3-carboxamide

• ChemBase ID: 299814
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: CCN(C)C(=O)c1cccnc1Cl
• Canonical SMILES: CN(C(=O)c1cccnc1Cl)CC
• InChI: InChI=1S/C9H11ClN2O/c1-3-12(2)9(13)7-5-4-6-11-8(7)10/h4-6H,3H2,1-2H3
• InChIKey: OKOCIHPHSMRJDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-methylpyridine-3-carboxamide
• IUPAC Traditional name: 2-chloro-N-ethyl-N-methylpyridine-3-carboxamide
• Synonyms: 2-Chloro-N-ethyl-N-methylpyridine-3-carboxamide; 2-Chloro-N-ethyl-N-methylnicotinamide

Database IDs

• MDL Number: MFCD11618825
• PubChem SID: 180685345
• PubChem CID: 21645274

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2345943
• LogD (pH = 7.4): 1.2345957
• Log P: 1.2345957
• Molar Refractivity: 53.3876 cm^3
• Polarizability: 19.76593 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%