2-chloro-N-(3,5-dichloro-6-methylpyridin-2-yl)acetamide

• ChemBase ID: 231050
• Molecular Formular: C8H7Cl3N2O
• Molecular Mass: 253.51298
• Monoisotopic Mass: 251.96239589
• SMILES: c1(nc(c(cc1Cl)Cl)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1nc(C)c(cc1Cl)Cl
• InChI: InChI=1S/C8H7Cl3N2O/c1-4-5(10)2-6(11)8(12-4)13-7(14)3-9/h2H,3H2,1H3,(H,12,13,14)
• InChIKey: JHRCHPNFKWSWAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3,5-dichloro-6-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(3,5-dichloro-6-methylpyridin-2-yl)acetamide
• Synonyms: 2-Chloro-N-(3,5-dichloro-6-methyl-pyridin-2-yl)-acetamide

Database IDs

• MDL Number: MFCD03964585
• PubChem SID: 164286960
• PubChem CID: 2384334

CALCULATED PROPERTIES

• Acid pKa: 11.367268
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.464515
• LogD (pH = 7.4): 2.4644997
• Log P: 2.4645445
• Molar Refractivity: 58.0319 cm^3
• Polarizability: 21.879044 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 2.336

Product Information

• Purity: 95%