YXU
Summary
Name: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
Formula: | C8 H8 N2 O |
Formal charge: | 0 |
Formula weight: | 148.162 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
OpenEye OEToolkits | 2.0.7 | 5-methoxy-1~{H}-pyrrolo[3,2-b]pyridine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc2[NH]ccc2n1 |
InChI | InChI | 1.06 | InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3 |
InChIKey | InChI | 1.06 | WTIFEVSWZUSXQL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]ccc2n1 |
SMILES | CACTVS | 3.385 | COc1ccc2[nH]ccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)cc[nH]2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)cc[nH]2 |