N-(2-methylpyridin-4-yl)acetamide

• ChemBase ID: 803998
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: CC(=O)Nc1cc(ncc1)C
• Canonical SMILES: CC(=O)Nc1ccnc(c1)C
• InChI: InChI=1S/C8H10N2O/c1-6-5-8(3-4-9-6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
• InChIKey: XSNZNZJXEGKLQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpyridin-4-yl)acetamide
• IUPAC Traditional name: N-(2-methylpyridin-4-yl)acetamide
• Synonyms: ACETAMIDE, N-(2-METHYL-4-PYRIDINYL)-

Database IDs

• CAS Number: 18085-47-7

CALCULATED PROPERTIES

• Acid pKa: 13.770819
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.72422343
• LogD (pH = 7.4): 0.084141344
• Log P: 0.12465393
• Molar Refractivity: 43.3556 cm^3
• Polarizability: 16.073664 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%