Brightway Flows 1.0
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Nifurpirinol

fo-927ccc362174f607

Identity

Type
Neutral molecule
CAS
13411-16-0
EC
236-503-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nifurpirinol

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JQKHJQJVKRFMCO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2
IUPAC name chemrof:IUPAC_name 2-Pyridinemethanol, 6-[2-(5-nitro-2-furanyl)ethenyl]-
Molecular formula chemrof:molecular_formula C12H10N2O4
Molecular mass chemrof:molecular_mass 246.222
Monoisotopic mass chemrof:monoisotopic_mass 246.064057
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(C=Cc2cccc(CO)n2)o1

Known URLs

4

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=13411-16-0 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1040291 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66367 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126678079 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d80087e1-c9fa-43ba-9214-798c21394302 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0eaa64ff-851b-484f-89f3-10461d27af74 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
751f8aa4-4427-465a-a9ff-aacd2c7fda19 Environmental → Air → Indoor EF 3.1 kg 2
275994d6-e61d-430c-addc-39b0d962f0a1 Environmental → Air → Long-term EF 3.1 kg 0
175b976e-68ff-44c2-9592-b5b0f2f5d3d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c323494d-72c3-4377-b054-f2462db0836d Environmental → Air → Unknown EF 3.1 kg 2
475a62e0-e238-4531-b07c-ac27ee33dec4 Environmental → Ground → Agricultural EF 3.1 kg 2
92ba16e9-4a18-49a8-9d9d-afaee96e080a Environmental → Ground → Non-agricultural EF 3.1 kg 2
871d1533-3a0e-418c-b81e-2d70513bc1b7 Environmental → Ground → Unknown EF 3.1 kg 2
fa355f45-e7b4-4221-bbc0-245acdced11a Environmental → Water → Long-term EF 3.1 kg 0
6d5bf458-dc64-4324-b098-905c91c29e8a Environmental → Water → Ocean EF 3.1 kg 2
d8673508-c7ba-408f-b811-83d5cc1e2e5f Environmental → Water → Surface water EF 3.1 kg 2
fef2d06f-e81d-4988-a69d-db61c49f6e88 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-927ccc362174f607",
  "prefLabel": [
    {
      "@value": "Nifurpirinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Pyridinemethanol, 6-[2-(5-nitro-2-furanyl)ethenyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13411-16-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pyridinemethanol, 6-[2-(5-nitro-2-furyl)vinyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13411-16-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-(Hydroxymethyl)-2-[2-(5-nitro-2-furyl)vinyl]pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-[2-(5-Nitro-2-furanyl)ethenyl]-2-pyridinemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "furanace",
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    },
    {
      "@value": "Furanace 10",
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    },
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    },
    {
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    },
    {
      "@value": "prefuran",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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}

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