3-(5H-Tetrazol-5-Yl)Pyridine
[CAS# 208264-85-1]

Identification

• Name: 3-(5H-Tetrazol-5-Yl)Pyridine
• Synonyms: 3-(5H-Tetrazol-5-yl)-pyridine
• Molecular Formula: C₆H₅N₅
• Molecular Weight: 147.14
• CAS Registry Number: 208264-85-1
• SMILES: C1=CC(=CN=C1)C2N=NN=N2
• InChI: 1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4,6H
• InChIKey: YONWVNQYFSZOBZ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 249.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 104.8±30.1°C (Cal.)
• Refractive index: 1.787 (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370