3,5,6-trichloro-2-pyridone
fo-67e85c92d0613c30
Identity
- Type
- Neutral molecule
- CAS
- 6515-38-4
- EC
- 229-405-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
19- 2(1H)-Pyridinone, 3,5,6-trichloro-
- 2(1H)-Pyridone, 3,5,6-trichloro-
- 2,3,5-Trichloro-6-hydroxypyridine
- 2,3,5-trichloro-6-pyridinol
- 2,3,5-trichloropyridine-6-ol
- 2-hydroxy-3,5,6-trichloropyridine
- 2-Hydroxyl-3,5,6-trichloropyridine
- 2-Pyridinol, 3,5,6-trichloro-
- 3,5,6-Trichloro-1H-pyridin-2-one
- 3,5,6-Trichloro-2(1H)-pyridinone
- 3,5,6-trichloro-2-hydroxypyridine
- 3,5,6-trichloro-2-pyridin-2-one
- 3,5,6-Trichloro-2-pyridinol
- 3,5,6-trichloropyridin-2(1H)-one
- 3,5,6-trichloropyridin-2-ol
- 3,5,6-trichloropyridine-2-ol
- 3,5,6-tris(chloranyl)pyridin-2-ol
- TCPy
- TCpyol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WCYYAQFQZQEUEN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10) |
| IUPAC name chemrof:IUPAC_name | 3,5,6-trichloro-2-pyridone |
| Molecular formula chemrof:molecular_formula | C5H2Cl3NO |
| Molecular mass chemrof:molecular_mass | 198.436 |
| Monoisotopic mass chemrof:monoisotopic_mass | 196.920197, 196.9202 |
| SMILES string chemrof:smiles_string | O=c1[nH]c(Cl)c(Cl)cc1Cl |
Known URLs
23Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=6515-38-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143794 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83490 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.026.733 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7038317 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186214 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JS52YZJ84A | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0039853 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.095J | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C22282 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=74796 | enrich_references.pubchem_identifier_url |
| pdb | pdb:6GNP | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:F4Z | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23017 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28939184 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29846064 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30226982 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30343485 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30903958 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30929106 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31108286 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1448677 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q6593915 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5012ff3e-b481-41fd-9105-201da510e054 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| aec95ff5-7e0d-44f7-9eb4-a315bf84cf43 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3a7bfd22-4b41-4a6c-acbe-6fa09e3cc991 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 18dff7e8-5d5a-44dc-80c9-39d99def5d1c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 19f79db5-136b-4801-a6b0-c285ffa38b26 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| de6d8391-bafe-4a9a-b52c-39d9dacfa0da | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2f6b8ef4-6842-40cf-b288-7e8aed3f2aa5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 44678e34-bde6-43e3-bb2b-ac658e9dd510 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e44fe4a8-9fa5-410b-8d45-ee2f0448bd17 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c67d079f-c265-4034-9163-4d6b952105c7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 83c3059e-e276-478a-8de7-9284be317895 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2feef53d-441f-4d03-929b-9567c968b003 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2e17174f-268f-4e0e-bdb8-844b6b70a1fe | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works