2-(5-bromo-2-chloropyridin-3-yl)acetamide

• ChemBase ID: 807231
• Molecular Formular: C7H6BrClN2O
• Molecular Mass: 249.49234
• Monoisotopic Mass: 247.9352025
• SMILES: C(C(=O)N)c1c(ncc(c1)Br)Cl
• Canonical SMILES: NC(=O)Cc1cc(Br)cnc1Cl
• InChI: InChI=1S/C7H6BrClN2O/c8-5-1-4(2-6(10)12)7(9)11-3-5/h1,3H,2H2,(H2,10,12)
• InChIKey: WFIDBXHIPLSNEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-2-chloropyridin-3-yl)acetamide
• IUPAC Traditional name: 2-(5-bromo-2-chloropyridin-3-yl)acetamide
• Synonyms: 5-BROMO-2-CHLORO-PYRIDIN-3-YLACETAMIDE

CALCULATED PROPERTIES

• Acid pKa: 13.302888
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1793534
• LogD (pH = 7.4): 1.1793541
• Log P: 1.1793536
• Molar Refractivity: 50.5198 cm^3
• Polarizability: 19.292208 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%