2-Oxo-6-(4-pyridinyl)-1,2-dihydro-5-pyrimidinecarboxylic acid hydrate (1:1)
[CAS# 690631-95-9]

Identification

• Name: 2-Oxo-6-(4-pyridinyl)-1,2-dihydro-5-pyrimidinecarboxylic acid hydrate (1:1)
• Synonyms: 2-Hydroxy-4-pyridin-4-ylpyrimidine-5-carboxylic acid monohydrate; 2-oxo-3-pyridinium-1-yl-1,2-dihydroquinolin-4-olate; 2-Oxo-4-pyridin-4yl-1,2-dihydro-5-pyrimidinecarboxylic acid monohydrate
• Molecular Formula: C₁₀H₉N₃O₄
• Molecular Weight: 235.20
• CAS Registry Number: 690631-95-9
• SMILES: O=C2/N=C\C(=C(\c1ccncc1)N2)C(=O)O.O
• InChI: 1S/C10H7N3O3.H2O/c14-9(15)7-5-12-10(16)13-8(7)6-1-3-11-4-2-6;/h1-5H,(H,14,15)(H,12,13,16);1H2
• InChIKey: OTHTZYIYUSSBGD-UHFFFAOYSA-N

Properties

• Boiling point: 508.3°C at 760 mmHg (Cal.)
• Flash point: 261.2°C (Cal.)
• Refractive index: (Cal.)