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Substance Name: 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester
RN: 20825-98-3
InChIKey: NPPHNBKRBUSDQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-Cl-N-O2

Molecular Weight

  • 185.609
 
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Names and Synonyms

Synonyms

  • 5-22-02-00177 (Beilstein Handbook Reference)
  • BRN 0473371
  • Ethyl 5-chloro-3-pyridinecarboxylate
  • Ethyl 5-chloronicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 20825-98-3

System Generated Number

  • 0020825983

Structure Descriptors

InChI

1S/C8H8ClNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3

InChIKey

NPPHNBKRBUSDQB-UHFFFAOYSA-N

Smiles

c1c(cc(cn1)Cl)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Acta Pharmaceutica Suecica. Vol. 9, Pg. 221, 1972.