N-(6-bromopyridin-2-yl)acetamide

• ChemBase ID: 795812
• Molecular Formular: C7H7BrN2O
• Molecular Mass: 215.04728
• Monoisotopic Mass: 213.97417485
• SMILES: CC(=O)Nc1nc(ccc1)Br
• Canonical SMILES: CC(=O)Nc1cccc(n1)Br
• InChI: InChI=1S/C7H7BrN2O/c1-5(11)9-7-4-2-3-6(8)10-7/h2-4H,1H3,(H,9,10,11)
• InChIKey: AZKOTMZRXXAOOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-bromopyridin-2-yl)acetamide
• IUPAC Traditional name: N-(6-bromopyridin-2-yl)acetamide
• Synonyms: N-(6-BroMopyridin-2-yl)acetaMide

Database IDs

• CAS Number: 25218-99-9

CALCULATED PROPERTIES

• Acid pKa: 12.093687
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5620127
• LogD (pH = 7.4): 1.5620075
• Log P: 1.5620159
• Molar Refractivity: 47.5426 cm^3
• Polarizability: 17.287178 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%