K8A
Summary
| Name: | 3-bromo-5-(2H-tetrazol-5-yl)pyridine |
| Formula: | C6 H4 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 226.033 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-5-(2H-tetrazol-5-yl)pyridine |
| OpenEye OEToolkits | 1.7.6 | 3-bromanyl-5-(2H-1,2,3,4-tetrazol-5-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2cncc(c1nnnn1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) |
| InChIKey | InChI | 1.03 | XJGDASCALCDOQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1cncc(c1)c2n[nH]nn2 |
| SMILES | CACTVS | 3.370 | Brc1cncc(c1)c2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cncc1Br)c2n[nH]nn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cncc1Br)c2n[nH]nn2 |
