4I9
Summary
| Name: | 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate |
| Formula: | C15 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.713 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | (5-chloranyl-4-methyl-pyridin-3-yl) 1~{H}-indole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(Cl)cncc1OC(=O)c1cccc2[NH]ccc12 |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClN2O2/c1-9-12(16)7-17-8-14(9)20-15(19)11-3-2-4-13-10(11)5-6-18-13/h2-8,18H,1H3 |
| InChIKey | InChI | 1.03 | IUYFODOLXCDVEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Cl)cncc1OC(=O)c2cccc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | Cc1c(Cl)cncc1OC(=O)c2cccc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3 |
