Methyl Isonicotinate

4-Carbomethoxypyridine
4-Methoxycarbonylpyridine
4-Pyridinecarboxylic acid, methyl ester
Isonicotinic acid, methyl ester
Methyl 4-pyridinecarboxylate

Property	Value
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

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	https://www.wikidata.org/wiki/Q63398365	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Methyl_isonicotinate	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
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Methyl Isonicotinate

Identity

Structure

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