2-chloro-N-(6-methylpyridin-2-yl)acetamide

• ChemBase ID: 251173
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: N(c1nc(ccc1)C)C(=O)CCl
• Canonical SMILES: Cc1cccc(n1)NC(=O)CCl
• InChI: InChI=1S/C8H9ClN2O/c1-6-3-2-4-7(10-6)11-8(12)5-9/h2-4H,5H2,1H3,(H,10,11,12)
• InChIKey: KHVOLPBRLWGWFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(6-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(6-methylpyridin-2-yl)acetamide
• Synonyms: 2-chloro-N-(6-methylpyridin-2-yl)acetamide

Database IDs

• MDL Number: MFCD00297018
• PubChem SID: 164307083
• PubChem CID: 954260

CALCULATED PROPERTIES

• Acid pKa: 11.835112
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1843814
• LogD (pH = 7.4): 1.2554492
• Log P: 1.2564553
• Molar Refractivity: 48.4223 cm^3
• Polarizability: 17.940254 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.604

Product Information

• Purity: 95%