methyl isonicotinate (Q63398365)

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chemical compound

• methyl 4-pyridinecarboxylate
• pyridine-4-carboxylic acid methyl ester

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Language	Label	Description	Also known as
English	methyl isonicotinate	chemical compound	methyl 4-pyridinecarboxylate pyridine-4-carboxylic acid methyl ester

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Methyl isonicotinate.svg
95 × 71; 3 KB

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mass

137.047678464 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₇NO₂

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canonical SMILES

COC(=O)C1=CC=NC=C1

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melting point

8.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

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InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

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CAS Registry Number

2459-09-8

1 reference

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2459-09-8

ChemSpider ID

197537

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PubChem CID

227085

1 reference

matched by identifier from

InChIKey

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL180574

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

UniChem compound ID

13676525

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP004257

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NMRShiftDB structure ID

20035485

1 reference

matched by identifier from

InChIKey

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9062433

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID5037103

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NSC number

18257

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EC number

219-546-8

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ECHA Substance Infocard ID

100.017.770

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.770

retrieved

29 December 2019

title

Methyl isonicotinate (English)

quotation

CAS no.: 2459-09-8 (English)

AICS Chemical ID (BEING DELETED)

7615

0 references

UNII

AH74GPR4IK

1 reference

matched by identifier from

InChIKey

InChIKey

OLXYLDUSSBULGU-UHFFFAOYSA-N

 

Sitelinks

Wikipedia(2 entries)

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• enwiki Methyl isonicotinate
• zhwiki 异烟酸甲酯

Wikibooks(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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