N-(3-hydroxypyridin-2-yl)acetamide

• ChemBase ID: 34610
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1ccc(c(n1)NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ncccc1O
• InChI: InChI=1S/C7H8N2O2/c1-5(10)9-7-6(11)3-2-4-8-7/h2-4,11H,1H3,(H,8,9,10)
• InChIKey: RNNMBUAVVIZMMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxypyridin-2-yl)acetamide
• IUPAC Traditional name: N-(3-hydroxypyridin-2-yl)acetamide
• Synonyms: N-(3-Hydroxypyridin-2-yl)acetamide; N-(3-Hydroxypyridin-2-yl)acetamide; N-(3-hydroxy-2-pyridinyl)acetamide

Database IDs

• CAS Number: 31354-48-0
• MDL Number: MFCD09757484
• PubChem SID: 160997917
• PubChem CID: 573434

CALCULATED PROPERTIES

• Acid pKa: 8.047758
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.252362
• LogD (pH = 7.4): 0.19746317
• Log P: 0.28417596
• Molar Refractivity: 41.0585 cm^3
• Polarizability: 14.9557295 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H8N2O2

DETAILS

Sigma Aldrich - ADE000678

Other Notes
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