4-vinylpyridine
fo-432196551aa59971
Identity
- Type
- Neutral molecule
- CAS
- 100-43-6
- EC
- 202-852-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- 2-(4-Pyridyl)ethylene
- 4-Ethenylpyridine
- Pyridine, 4-ethenyl-
- Pyridine, 4-vinyl-
- γ-Vinylpyridine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KFDVPJUYSDEJTH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2 |
| IUPAC name chemrof:IUPAC_name | 4-vinylpyridine |
| Molecular formula chemrof:molecular_formula | C7H7N |
| Molecular mass chemrof:molecular_mass | 105.14 |
| Monoisotopic mass chemrof:monoisotopic_mass | 105.057849 |
| SMILES string chemrof:smiles_string | C=Cc1ccncc1 |
Known URLs
14Where 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=100-43-6 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25232-41-1 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.593 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.209.677 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0051499 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18256 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4550330 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I56G67XM8D | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246594 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.337F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7502 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=159875 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q13427555 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Vinylpyridine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d2465115-fe46-486f-ade3-dc9e112bce65 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9009cc-f403-4441-97e0-e673353f67b1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8a37ec49-5bcf-4c60-9a82-7394d02115da | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 027d04a7-817e-482a-abef-856033721aca | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe55a29a-cd67-4a21-8004-2492a6651401 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ce732616-a2a3-4bc0-be3d-dcfc77d547e2 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| cd289ae7-5223-4913-8909-d8de146abd67 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c68d6040-4789-4a39-8544-c62c8143fafb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b42ec61f-a781-4a93-875e-31792a61ec85 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4f59136c-e240-47d4-b480-1befffe4a826 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3804f711-f502-4046-8d21-210c92c9fd18 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 207dbeec-b772-4703-9583-df230af9a3a7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| db44eb33-1670-4102-858e-c4c522a6271e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-432196551aa59971",
"prefLabel": [
{
"@value": "4-vinylpyridine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-(4-Pyridyl)ethylene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:100-43-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Ethenylpyridine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:100-43-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pyridine, 4-ethenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:100-43-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pyridine, 4-vinyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:100-43-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "γ-Vinylpyridine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:100-43-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H7N"
],
"attested_by": {
"C7H7N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KFDVPJUYSDEJTH-UHFFFAOYSA-N"
],
"attested_by": {
"KFDVPJUYSDEJTH-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=Cc1ccncc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"4-vinylpyridine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
],
"attested_by": {
"C=Cc1ccncc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"4-vinylpyridine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
],
"attested_by": {
"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-vinylpyridine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"4-vinylpyridine"
]
},
"attested_by": {
"4-vinylpyridine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
105.14
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=CC1=CC=NC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
],
"attested_by": {
"105.14": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
105.057849
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=CC1=CC=NC=C1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=Cc1ccncc1"
]
}
],
"attested_by": {
"105.057849": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.337F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.593",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.209.677",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=100-43-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"100-43-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25232-41-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0051499",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18256",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/4-Vinylpyridine",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I56G67XM8D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0246594",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7502",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[100-43-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=159875",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4550330",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q13427555",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7502;CAS:100-43-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-43-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "027d04a7-817e-482a-abef-856033721aca",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"100-43-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=100-43-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-852-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-852-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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"
]
}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