Consensus flow list

Identity

Type
Neutral molecule
CAS
2459-09-8
EC
219-546-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methyl Isonicotinate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OLXYLDUSSBULGU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
IUPAC name chemrof:IUPAC_name Methyl Isonicotinate
Molecular formula chemrof:molecular_formula C7H7NO2
Molecular mass chemrof:molecular_mass 137.138
Monoisotopic mass chemrof:monoisotopic_mass 137.047678
SMILES string chemrof:smiles_string COC(=O)c1ccncc1

Known URLs

10

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2459-09-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.770 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9062433 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18257 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251612 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AH74GPR4IK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.099B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/227085 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q63398365 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Methyl_isonicotinate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
331befd1-1c90-4580-b144-dfd5f0ab3442 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5cdd26d3-b994-4e33-a5a5-59782cfa52e1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
599ec217-bb7c-4a74-8c4c-b350f64779fe Environmental → Air → Indoor EF 3.1 kg 2
eebf76b9-c7e1-4e45-9501-3b3587050e96 Environmental → Air → Long-term EF 3.1 kg 0
98bbd665-363c-4e5a-8c47-f7fa023499fc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a0f62244-647a-4cfd-b633-54e14852a719 Environmental → Air → Unknown EF 3.1 kg 2
0c99b0f6-9a06-4e50-a998-dd86f9f3fe07 Environmental → Ground → Agricultural EF 3.1 kg 2
d6bd034b-4ef3-4b73-a650-c04a4faf954a Environmental → Ground → Non-agricultural EF 3.1 kg 2
77320a31-5e2e-4906-a6da-c15f58168596 Environmental → Ground → Unknown EF 3.1 kg 2
cc6bb8ee-772c-4c9d-ad65-fe3a291073fa Environmental → Water → Long-term EF 3.1 kg 0
5ec7d04a-e393-45fa-bb0a-e8fe9e603a1e Environmental → Water → Ocean EF 3.1 kg 2
436d4b46-6d45-4872-a25b-e3482892873e Environmental → Water → Surface water EF 3.1 kg 2
a7da71b7-e1a7-45d4-82e3-11b063bd8753 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-cc1b4aba55e9f1a6",
  "prefLabel": [
    {
      "@value": "Methyl Isonicotinate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Carbomethoxypyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2459-09-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methoxycarbonylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinecarboxylic acid, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isonicotinic acid, methyl ester",
      "@language": "en",
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    },
    {
      "@value": "Methyl 4-pyridinecarboxylate",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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