N-(3-hydroxypyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 291720
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: CC(C)(C)C(=O)Nc1ncccc1O
• Canonical SMILES: O=C(C(C)(C)C)Nc1ncccc1O
• InChI: InChI=1S/C10H14N2O2/c1-10(2,3)9(14)12-8-7(13)5-4-6-11-8/h4-6,13H,1-3H3,(H,11,12,14)
• InChIKey: QTECCVGXCNCEGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxypyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(3-hydroxypyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(3-Hydroxypyridin-2-yl)pivalamide; 3-Hydroxy-2-(2,2,2-trimethylacetamido)pyridine; N-(3-Hydroxypyridin-2-yl)pivalamide; 3-羟基-2-(2,2,2-三甲基乙酰胺)吡啶

Database IDs

• CAS Number: 177744-83-1
• MDL Number: MFCD07781130
• PubChem SID: 180677251
• PubChem CID: 24208787

CALCULATED PROPERTIES

• Acid pKa: 8.041297
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.052858
• LogD (pH = 7.4): 1.9958531
• Log P: 2.0837123
• Molar Refractivity: 54.7609 cm^3
• Polarizability: 20.45405 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%