| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:37 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9IN2 |
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| Molecular Mass | 247.981 |
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| SMILES | NCCc1ccc(I)cn1 |
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| InChI Key | DRRWBMNGSXJPNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl iodidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganohalogen compoundorganoiodidearyl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodide2-halopyridineorganic nitrogen compound |
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