2-Chloro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)nicotinic acid
[CAS# 885277-14-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Chloropyridine
• Name: 2-Chloro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)nicotinic acid
• Synonyms: 3-PYRIDINECARBOXYLICACID, 2-CHLORO-5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-; 5-TERT-BUTOXYCARBONYLAMINO-2-CHLORO-NICOTINIC ACID; 5-TERT-BUTOXYCARBONYLAMINO-2-CHLORO-NICOTINICACID
• Molecular Formula: C₁₁H₁₃ClN₂O₄
• Molecular Weight: 272.68
• CAS Registry Number: 885277-14-5
• SMILES: CC(C)(C)OC(=O)Nc1cc(c(nc1)Cl)C(=O)O
• InChI: 1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-6-4-7(9(15)16)8(12)13-5-6/h4-5H,1-3H3,(H,14,17)(H,15,16)
• InChIKey: ZIRGYJUCMVPSLA-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 379.306°C at 760 mmHg (Cal.)
• Flash point: 183.198°C (Cal.)
• Refractive index: 1.588 (Cal.)