Brightway Flows 1.0
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3-methylpyridine

fo-f5c48d2e9005a26b

Identity

Type
Neutral molecule
CAS
108-99-6
EC
203-636-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3-methylpyridine

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ITQTTZVARXURQS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 3-methylpyridine
Molecular formula chemrof:molecular_formula C6H7N
Molecular mass chemrof:molecular_mass 93.129
Monoisotopic mass chemrof:monoisotopic_mass 93.057849, 93.05785
SMILES string chemrof:smiles_string Cc1cccnc1

Known URLs

24

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:1366 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=108-99-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39922 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.307 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0802 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021897 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01996 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01996 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18251 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15722 enrich_references.pubchem_identifier_url
gmelin gmelin:2450 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B083J4KF7F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061887 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.085G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52237 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:3MP enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL15722 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7970 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2313 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24756213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24881536 enrich_references.chebi_xrefs
reaxys reaxys:1366 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2697560 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Methylpyridine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
cacaa7f9-ece6-4b85-ba83-d63521607144 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4f55f575-2721-48b7-bb38-af8b225d7b21 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a654ea6a-71ec-4597-8c55-cd6ac1fa63fd Environmental → Air → Indoor EF 3.1 kg 4
8068a373-11bc-4c5c-86ef-f4fce5114f82 Environmental → Air → Long-term EF 3.1 kg 0
27259deb-006e-4366-a988-96f949853630 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
71fad683-6d49-4b07-a58d-be056b971275 Environmental → Air → Unknown EF 3.1 kg 4
0b541c20-7a2b-45fc-9117-196e79f74db7 Environmental → Ground → Agricultural EF 3.1 kg 4
634f7d9b-2371-4b9f-a06a-db329df8cfd4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1bef94a2-afe1-43ef-9fe8-7cd6d275dfc5 Environmental → Ground → Unknown EF 3.1 kg 4
514b741c-f222-4886-9d65-14c27a6764fe Environmental → Water → Long-term EF 3.1 kg 0
ab47a4f7-2e81-4a40-97cb-40cf22be5eac Environmental → Water → Ocean EF 3.1 kg 4
31908a73-8ce8-49d2-83ea-4e430818f1ed Environmental → Water → Surface water EF 3.1 kg 4
815e4b18-806d-4468-8533-a592b2ed4df0 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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