A1CPB
Summary
| Name: | 2-phenyl-1H-pyrrolo[2,3-b]pyridine |
| Formula: | C13 H10 N2 |
| Formal charge: | 0 |
| Formula weight: | 194.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-phenyl-1H-pyrrolo[2,3-b]pyridine |
| OpenEye OEToolkits | 3.1.0.0 | 2-phenyl-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1ccnc2[NH]c(cc12)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H10N2/c1-2-5-10(6-3-1)12-9-11-7-4-8-14-13(11)15-12/h1-9H,(H,14,15) |
| InChIKey | InChI | 1.06 | PPWLAQVKIFDULF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1c(cc2cccnc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | [nH]1c(cc2cccnc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc3cccnc3[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc3cccnc3[nH]2 |
