3-Pyridinemethanol
fo-fd170f6215546bba
Identity
- Type
- Neutral molecule
- CAS
- 100-55-0
- EC
- 202-864-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
22- 3-(hydroxymethyl)pyridine
- 3-picolyl alcohol
- 3-pyridinylcarbinol
- 3-pyridinylmethanol
- 3-Pyridyl carbinal
- 3-pyridylcarbinol
- 3-pyridylmethanol
- 5-(Hydroxymethyl)pyridine
- beta-picolyl alcohol
- beta-pyridinecarbinol
- beta-pyridylcarbinol
- nicotinic alcohol
- nicotinyl alcohol
- omega-hydroxy-3-picoline
- pyridin-3-ylmethanol
- pyridine 3-methanol
- pyridine-3-carbinol
- RO-1-5155
- Roniacol
- β-Picolyl alcohol
- β-Pyridinecarbinol
- β-Pyridylcarbinol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 |
| IUPAC name chemrof:IUPAC_name | 3-Pyridinemethanol |
| Molecular formula chemrof:molecular_formula | C6H7NO |
| Molecular mass chemrof:molecular_mass | 109.128 |
| Monoisotopic mass chemrof:monoisotopic_mass | 109.05276, 109.052764 |
| SMILES string chemrof:smiles_string | OCc1cccnc1 |
Known URLs
27Where 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:107851 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=100-55-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45213 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.604 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6023367 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04145 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04145 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1921 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1921 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=526046 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235535 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9TF312056Y | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245980 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.983B | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D05158 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-37188 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=122981 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61860 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:PYF | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1235535 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7510 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=160252 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/4883785 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/5796529 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6346344 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q411732 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Nicotinyl_alcohol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 08039ff6-43a5-42b6-bfde-f23f1c5dd1e2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 91e556ae-7dc5-4e7e-a76f-0b92683ad590 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6d4431fb-98db-4c18-bd3a-b9423cf0d727 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4cfe985a-98c2-4c19-b3f3-df45ea8ba0f1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 435c8ba9-ceae-438b-a475-a6bc873794f0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 194a6c3a-644f-4a36-bf5a-a3bb30cfa25c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d2d98ffa-248c-4dea-846b-53ed01311cc8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 28f1080b-b19b-48f2-8305-876e9ced7029 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bc525ea0-129c-4c8a-bf0c-637384f30462 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 25562497-ff5e-4f2a-99c2-690e8524565c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ca88940b-d5db-4230-bf49-ae4b8dd20720 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 12269396-2007-46ba-b7c3-b10741e16629 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e340c749-65f9-49f3-99e9-a99f4eff3a32 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-fd170f6215546bba",
"prefLabel": [
{
"@value": "3-Pyridinemethanol",
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{
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{
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{
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{
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{
"@value": "β-Picolyl alcohol",
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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