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Substance Name: Nicotinonitrile, 2-hydroxy-6-methyl-5-phenyl-
RN: 4241-12-7
InChIKey: OEKMRMSCUYJJHJ-UHFFFAOYSA-N

Molecular Formula

  • C13-H10-N2-O

Molecular Weight

  • 210.235
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-6-methyl-5-phenylnicotinonitrile
  • 3-Pyridinecarbonitrile, 2-hydroxy-6-methyl-5-phenyl-
  • NSC 75409
  • NSC 81113

Systematic Names

  • 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-phenyl- (9CI)
  • Nicotinonitrile, 2-hydroxy-6-methyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 4241-12-7

System Generated Number

  • 0004241127

Structure Descriptors

InChI

1S/C13H10N2O/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)

InChIKey

OEKMRMSCUYJJHJ-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc(c(O)nc1C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02428,