BSW
Summary
| Name: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C12 H8 F N3 |
| Formal charge: | 0 |
| Formula weight: | 213.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16) |
| InChIKey | InChI | 1.03 | IKSVOVRMDGWNBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cnccc1c2ccnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | Fc1cnccc1c2ccnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1c(ccn2)c3ccncc3F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c[nH]c2c1c(ccn2)c3ccncc3F |
