2-chloro-N-(5-chloropyridin-2-yl)acetamide

• ChemBase ID: 26972
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: N(c1ncc(Cl)cc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cn1)Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-3-7(12)11-6-2-1-5(9)4-10-6/h1-2,4H,3H2,(H,10,11,12)
• InChIKey: FWIPEIVJWOOWGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-chloropyridin-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(5-chloropyridin-2-yl)acetamide
• Synonyms: 2-Chloro-N-(5-chloropyridin-2-yl)acetamide; 2-chloro-N-(5-chloro-2-pyridinyl)acetamide

Database IDs

• CAS Number: 90931-33-2
• MDL Number: MFCD00297021
• PubChem SID: 160990279
• PubChem CID: 5151148

CALCULATED PROPERTIES

• Acid pKa: 11.838363
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.728966
• LogD (pH = 7.4): 1.7291126
• Log P: 1.7291298
• Molar Refractivity: 48.6356 cm^3
• Polarizability: 18.145847 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false