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

• ChemBase ID: 796889
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: CC(=O)Nc1ncc(cc1)C
• Canonical SMILES: CC(=O)Nc1ccc(cn1)C
• InChI: InChI=1S/C8H10N2O/c1-6-3-4-8(9-5-6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
• InChIKey: ARHIRVVLQAQUCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: N-(5-methylpyridin-2-yl)acetamide
• Synonyms: N-(5-Methylpyridin-2-yl)acetaMide

Database IDs

• CAS Number: 4931-47-9

CALCULATED PROPERTIES

• Acid pKa: 12.286331
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0624616
• LogD (pH = 7.4): 1.1006454
• Log P: 1.1011627
• Molar Refractivity: 44.1188 cm^3
• Polarizability: 16.077251 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%