N-(5-acetylpyridin-2-yl)acetamide

• ChemBase ID: 802230
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: CC(=O)Nc1ncc(cc1)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cn1)C(=O)C
• InChI: InChI=1S/C9H10N2O2/c1-6(12)8-3-4-9(10-5-8)11-7(2)13/h3-5H,1-2H3,(H,10,11,13)
• InChIKey: UBYQLFOHLBXCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-acetylpyridin-2-yl)acetamide
• IUPAC Traditional name: N-(5-acetylpyridin-2-yl)acetamide
• Synonyms: N-(5-ACETYLPYRIDIN-2-YL)ACETAMIDE

Database IDs

• CAS Number: 207926-27-0

CALCULATED PROPERTIES

• Acid pKa: 12.025752
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.14464779
• LogD (pH = 7.4): 0.14536968
• Log P: 0.14538881
• Molar Refractivity: 49.4804 cm^3
• Polarizability: 18.07061 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%