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Substance Name: 3-Pyridinecarboxylic acid, 5-chloro-, 3-pyridinylmethyl ester
RN: 23723-30-0
InChIKey: XOOJNWDAXVCRLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Cl-N2-O2

Molecular Weight

  • 248.668
 
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Names and Synonyms

Synonyms

  • 3-Pyridylmethyl 5-chloronicotinate
  • 5-22-02-00177 (Beilstein Handbook Reference)
  • BRN 0481404
  • Pyridinemethanol, 5-chloronicotinate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23723-30-0

System Generated Number

  • 0023723300

Structure Descriptors

InChI

1S/C12H9ClN2O2/c13-11-4-10(6-15-7-11)12(16)17-8-9-2-1-3-14-5-9/h1-7H,8H2

InChIKey

XOOJNWDAXVCRLA-UHFFFAOYSA-N

Smiles

c1c(cc(cn1)Cl)C(=O)OCc1cnccc1

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.