Consensus flow list

Identity

Type
Neutral molecule
CAS
109-09-1
EC
203-646-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-chloropyridine

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OKDGRDCXVWSXDC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
IUPAC name chemrof:IUPAC_name 2-chloropyridine
Molecular formula chemrof:molecular_formula C5H4ClN
Molecular mass chemrof:molecular_mass 113.547
Monoisotopic mass chemrof:monoisotopic_mass 113.003227, 113.00323
SMILES string chemrof:smiles_string Clc1ccccn1

Known URLs

15

Where 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
beilstein beilstein:105788 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=109-09-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39174 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.316 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024810 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4649 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL509579 enrich_references.pubchem_identifier_url
gmelin gmelin:130818 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8HMD45AYEJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.430I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56184 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7977 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2822 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q209364 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Chloropyridine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
52ae198d-a5df-4943-a4a4-03bc00de58f5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
caacadb9-45b3-4ff9-b23f-052105df3fba Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7bacbefc-2868-468a-8214-e19acd66de69 Environmental → Air → Indoor EF 3.1 kg 4
18efc506-fa0a-40f9-978a-e2c41c8e9d5d Environmental → Air → Long-term EF 3.1 kg 0
80df991d-933c-4fe2-afeb-4939bce2f340 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
039e87e3-873c-4ea7-aaf9-2df298388e9f Environmental → Air → Unknown EF 3.1 kg 4
fc4129cd-9379-444e-8ffd-d37b1a0c7e8a Environmental → Ground → Agricultural EF 3.1 kg 4
d7dd16d9-6f3b-4d49-af89-9cbe292236fd Environmental → Ground → Non-agricultural EF 3.1 kg 4
e570f0c2-e71b-4d7d-997b-ad2386cfaeca Environmental → Ground → Unknown EF 3.1 kg 4
e92ceecd-4dc4-47b2-8999-9b81dbdba68f Environmental → Water → Long-term EF 3.1 kg 0
e417dd24-1d44-405f-98a8-a8d40248300d Environmental → Water → Ocean EF 3.1 kg 4
bb59d662-6b51-4f2d-ba0a-e0acd3036d45 Environmental → Water → Surface water EF 3.1 kg 4
7dca1d4a-6141-44f6-9d6d-97c75faafc07 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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