A1JG8
Summary
| Name: | methyl 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanoate |
| Formula: | C12 H10 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 291.693 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10ClN5O2/c1-20-10(19)6-18-5-9(16-17-18)11-7-2-3-14-12(7)15-4-8(11)13/h2-5H,6H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | NOOIPQAWJDLJNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | COC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl |
