2-(4-chloropyridin-2-yl)-N,N-dimethylacetamide

• ChemBase ID: 239131
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: C(=O)(Cc1nccc(c1)Cl)N(C)C
• Canonical SMILES: CN(C(=O)Cc1nccc(c1)Cl)C
• InChI: InChI=1S/C9H11ClN2O/c1-12(2)9(13)6-8-5-7(10)3-4-11-8/h3-5H,6H2,1-2H3
• InChIKey: MXFDLNJMDRXCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloropyridin-2-yl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(4-chloropyridin-2-yl)-N,N-dimethylacetamide
• Synonyms: 2-(4-chloropyridin-2-yl)-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD22378680
• PubChem SID: 164295041
• PubChem CID: 68385960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0214607
• LogD (pH = 7.4): 1.0235989
• Log P: 1.0236262
• Molar Refractivity: 51.2571 cm^3
• Polarizability: 19.897211 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.266

Product Information

• Purity: 95%