A1I81
Summary
| Name: | (2~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]propane-1,2-diol |
| Formula: | C12 H12 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 293.709 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12ClN5O2/c13-9-3-15-12-8(1-2-14-12)11(9)10-5-18(17-16-10)4-7(20)6-19/h1-3,5,7,19-20H,4,6H2,(H,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | XEFQCXISOSGQEB-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OC[CH](O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)C[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC(CO)O |
