A3Q
Summary
| Name: | 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| Formula: | C14 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 235.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17) |
| InChIKey | InChI | 1.03 | NSJGIUMXLVXGPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N |
