Methyl 2-Butyl-1-[[2-Fluoro-4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-6-Oxopyridine-4-Carboxylate
[CAS# 156001-18-2]

Identification

• Name: Methyl 2-Butyl-1-[[2-Fluoro-4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-6-Oxopyridine-4-Carboxylate
• Synonyms: Methyl 2-Butyl-1-[[2-Fluoro-4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-6-Oxo-Pyridine-4-Carboxylate; 2-Butyl-1-[[2-Fluoro-4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-6-Oxo-4-Pyridinecarboxylic Acid Methyl Ester; 2-Butyl-1-[2-Fluoro-4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-6-Keto-Isonicotinic Acid Methyl Ester
• Molecular Formula: C₂₅H₂₄FN₅O₃
• Molecular Weight: 461.49
• CAS Registry Number: 156001-18-2
• SMILES: C1=CC(=CC(=C1CN2C(=CC(=CC2=O)C(OC)=O)CCCC)F)C3=CC=CC=C3C4=N[NH]N=N4
• InChI: 1S/C25H24FN5O3/c1-3-4-7-19-12-18(25(33)34-2)14-23(32)31(19)15-17-11-10-16(13-22(17)26)20-8-5-6-9-21(20)24-27-29-30-28-24/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,27,28,29,30)
• InChIKey: LYVGOAYMIAQLHI-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 691.356°C at 760 mmHg (Cal.)
• Flash point: 371.919°C (Cal.)