ZRK
2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE
Created: | 2011-06-16 |
Last modified: | 2014-05-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE |
Systematic Name (OpenEye OEToolkits) | 2-pyridin-4-yl-5H-furo[3,2-c]pyridin-4-one |
Formula | C12 H8 N2 O2 |
Molecular Weight | 212.204 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC=Cc1oc(cc12)c3ccncc3 |
SMILES | CACTVS | 3.370 | O=C1NC=Cc2oc(cc12)c3ccncc3 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cnccc1c2cc3c(o2)C=CNC3=O |
Canonical SMILES | CACTVS | 3.370 | O=C1NC=Cc2oc(cc12)c3ccncc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | c1cnccc1c2cc3c(o2)C=CNC3=O |
InChI | InChI | 1.03 | InChI=1S/C12H8N2O2/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-7H,(H,14,15) |
InChIKey | InChI | 1.03 | NLYCKXUGHPVKMO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 53245729 |
ChEMBL | CHEMBL1738951 |