N-(6-hydroxypyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 23718
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1c(nc(cc1)NC(=O)C(C)(C)C)O
• Canonical SMILES: O=C(C(C)(C)C)Nc1cccc(n1)O
• InChI: InChI=1S/C10H14N2O2/c1-10(2,3)9(14)12-7-5-4-6-8(13)11-7/h4-6H,1-3H3,(H2,11,12,13,14)
• InChIKey: HZMZDHXEFCTHBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-hydroxypyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(6-hydroxypyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(6-Hydroxy-pyridin-2-yl)-2,2-dimethyl-propionamide; N-(6-Hydroxy-pyridin-2-yl)-2,2-dimethyl-propionamide

Database IDs

• CAS Number: 824429-50-7
• MDL Number: MFCD07366716
• PubChem SID: 160987025
• PubChem CID: 17750187

CALCULATED PROPERTIES

• Acid pKa: 10.974394
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.678137
• LogD (pH = 7.4): 2.6780558
• Log P: 2.67817
• Molar Refractivity: 55.0744 cm^3
• Polarizability: 20.45564 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C10H14N2O2

DETAILS

Sigma Aldrich - ADE000298

Other Notes
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