| Molecular Formula | C6H4BrN5 |
| Canonicalized Compound | 1 |
| Compound Complexity | 155 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Rotatable Bond Count | 1 |
| Allowed IUPAC Name | 5-bromo-2-(2H-tetrazol-5-yl)pyridine |
| CAS-like Style IUPAC Name | 5-bromo-2-(2H-tetrazol-5-yl)pyridine |
| Markup IUPAC Name | 5-bromo-2-(2<I>H</I>-tetrazol-5-yl)pyridine |
| Preferred IUPAC Name | 5-bromo-2-(2H-tetrazol-5-yl)pyridine |
| Systematic IUPAC Name | 5-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyridine |
| Traditional IUPAC Name | 5-bromo-2-(2H-tetrazol-5-yl)pyridine |
| Standard InChI | InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) |
| Standard InChIKey | LBDJSOHAVRCQPD-UHFFFAOYSA-N |
| XLogP3-AA Log P | 0.8 |
| Exact Mass | 224.96501 |
| Molecular Weight | 226.03 |
| Canonical SMILES | C1=CC(=NC=C1Br)C2=NNN=N2 |
| Polar Surface Area Topological | 67.4 |
| MonoIsotopic Weight | 224.96501 |
| Isomeric SMILES | C1=CC(=NC=C1Br)C2=NNN=N2 |
| Chemical Structure |  |
| Class | Specialty Materials |
