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Substance Name: Nicotinamide, N-(2-pyridyl)-
RN: 13160-07-1
InChIKey: QZNPXKRALPFXPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-N3-O

Molecular Weight

  • 199.212
 
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Names and Synonyms

Synonyms

  • 5-22-08-00418 (Beilstein Handbook Reference)
  • AI3-15755
  • BRN 0151158
  • N-(2-Pyridyl)nicotinamide

Systematic Names

  • 3-Pyridinecarboxamide, N-2-pyridinyl-
  • Nicotinamide, N-(2-pyridyl)-

Registry Numbers

CAS Registry Number

  • 13160-07-1

System Generated Number

  • 0013160071

Structure Descriptors

InChI

1S/C11H9N3O/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10/h1-8H,(H,13,14,15)

InChIKey

QZNPXKRALPFXPR-UHFFFAOYSA-N

Smiles

O=C(c1cccnc1)Nc1ccccn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.880 (none)   EST
Water Solubility 210 mg/L 25 EXP
Atmospheric OH Rate Constant 2.69E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.