GVH
1H-PYRROLO[2,3-B]PYRIDINE
Created: | 2007-03-15 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1H-PYRROLO[2,3-B]PYRIDINE |
Systematic Name (OpenEye OEToolkits) | 1H-pyrrolo[2,3-b]pyridine |
Formula | C7 H6 N2 |
Molecular Weight | 118.136 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cccc2c1ncc2 |
SMILES | CACTVS | 3.341 | [nH]1ccc2cccnc12 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cc[nH]c2nc1 |
Canonical SMILES | CACTVS | 3.341 | [nH]1ccc2cccnc12 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cc[nH]c2nc1 |
InChI | InChI | 1.03 | InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9) |
InChIKey | InChI | 1.03 | MVXVYAKCVDQRLW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 9222 |
ChEMBL | CHEMBL389685 |
CCDC/CSD | LIYMIR, JESPAY01 |