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

• ChemBase ID: 799266
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: CC(=O)Nc1ncc(cc1)O
• Canonical SMILES: CC(=O)Nc1ccc(cn1)O
• InChI: InChI=1S/C7H8N2O2/c1-5(10)9-7-3-2-6(11)4-8-7/h2-4,11H,1H3,(H,8,9,10)
• InChIKey: NOHYOJBXOLFMHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-hydroxypyridin-2-yl)acetamide
• IUPAC Traditional name: N-(5-hydroxypyridin-2-yl)acetamide
• Synonyms: N-(5-Hydroxy-pyridin-2-yl)-acetamide

Database IDs

• CAS Number: 159183-89-8

CALCULATED PROPERTIES

• Acid pKa: 8.755646
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.271133
• LogD (pH = 7.4): 0.26561055
• Log P: 0.28417596
• Molar Refractivity: 41.0585 cm^3
• Polarizability: 14.954296 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%