X29
Summary
| Name: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol |
| Formula: | C12 H7 Br Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 340.56 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 4-(6-bromanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chloranyl-benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3cc(c1nnc2ccc(Br)cn12)c(O)cc3O |
| InChI | InChI | 1.03 | InChI=1S/C12H7BrClN3O2/c13-6-1-2-11-15-16-12(17(11)5-6)7-3-8(14)10(19)4-9(7)18/h1-5,18-19H |
| InChIKey | InChI | 1.03 | NLZHDDXNSHMPRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c(cc1Cl)c2nnc3ccc(Br)cn23 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c(cc1Cl)c2nnc3ccc(Br)cn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl |
