2-hydroxy-2-(pyridin-3-yl)acetamide

• ChemBase ID: 796205
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: C(C(=O)N)(c1cnccc1)O
• Canonical SMILES: NC(=O)C(c1cccnc1)O
• InChI: InChI=1S/C7H8N2O2/c8-7(11)6(10)5-2-1-3-9-4-5/h1-4,6,10H,(H2,8,11)
• InChIKey: MEVOJIGVNNBROO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-hydroxy-2-(pyridin-3-yl)acetamide
• Synonyms: 2-hydroxy-2-(pyridin-3-yl)acetamide hydroxy-[3]pyridyl-acetic acid amide Hydroxy-[3]pyridyl-essigsaeure-amid

Database IDs

• CAS Number: 98276-73-4

CALCULATED PROPERTIES

• Acid pKa: 12.230019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1792264
• LogD (pH = 7.4): -1.1294683
• Log P: -1.1287794
• Molar Refractivity: 38.3691 cm^3
• Polarizability: 14.969402 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%