Ethyl oxo(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
[CAS# 626604-80-6]

Identification

• Name: Ethyl oxo(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
• Synonyms: 1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, a-oxo-, ethyl ester; 1H-Pyrrolo[2,3-b]pyridine-3-acetic acid,a-oxo-,ethyl ester; ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.21
• CAS Registry Number: 626604-80-6
• SMILES: O=C(OCC)C(=O)c2c1cccnc1nc2
• InChI: 1S/C11H10N2O3/c1-2-16-11(15)9(14)8-6-13-10-7(8)4-3-5-12-10/h3-6H,2H2,1H3,(H,12,13)
• InChIKey: CCFIFACOXYODQN-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Melting point: 160-162°C (Expl.)
• Boiling point: 405.544°C at 760 mmHg (Cal.)
• Flash point: 199.066°C (Cal.)
• Refractive index: 1.625 (Cal.)

Safety Data

• Safety Description: IRRITANT