6-chloro-N,N-dimethylpyridine-2-carboxamide

• ChemBase ID: 123749
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(c1nc(Cl)ccc1)N(C)C
• Canonical SMILES: CN(C(=O)c1cccc(n1)Cl)C
• InChI: InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3
• InChIKey: CNCWTWVWSPMBLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N,N-dimethylpyridine-2-carboxamide
• Synonyms: 6-chloro-N,N-dimethylpicolinamide; 6-chloro-N,N-dimethyl-2-pyridinecarboxamide

Database IDs

• MDL Number: MFCD13176450
• PubChem SID: 162218102
• PubChem CID: 19010919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.263638
• LogD (pH = 7.4): 1.263638
• Log P: 1.263638
• Molar Refractivity: 48.267 cm^3
• Polarizability: 17.926147 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true