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Substance Name: Nicotinic acid, 5-fluoro-, methyl ester (9CI)
RN: 455-70-9
InChIKey: PGCFLXMMCWKPDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-F-N-O2

Molecular Weight

  • 155.127
 
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Names and Synonyms

Synonyms

  • 5-22-02-00173 (Beilstein Handbook Reference)
  • BRN 0128573
  • Methyl 5-fluoro-3-pyridinecarboxylate
  • Methyl 5-fluoronicotinate

Systematic Names

  • 3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester
  • Nicotinic acid, 5-fluoro-, methyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 455-70-9

System Generated Number

  • 0000455709

Structure Descriptors

InChI

1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3

InChIKey

PGCFLXMMCWKPDU-UHFFFAOYSA-N

Smiles

c1ncc(cc1F)C(OC)=O

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.