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Substance Name: 3-Pyridinaldehyde
RN: 500-22-1
UNII: 840R4IDQ1T
InChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O

Molecular Weight

  • 107.1115
 
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Names and Synonyms

Name of Substance

  • 3-Pyridinaldehyde

Synonyms

  • 3-Formylpyridine
  • 3-Pyridenecarboxaldehyde
  • 3-Pyridinaldehyde
  • 3-Pyridinealdehyde
  • 3-Pyridylaldehyde
  • 3-Pyridylcarboxaldehyde
  • 5-21-07-00334 (Beilstein Handbook Reference)
  • AI3-33231
  • beta-Pyridinecarbonaldehyde
  • BRN 0105343
  • EINECS 207-900-4
  • Nicotinealdehyde
  • Nicotinic aldehyde
  • NSC 8952
  • Pyridine-3-carbaldehyde
  • Rowalind
  • UNII-840R4IDQ1T

Systematic Names

  • 3-Pyridinecarboxaldehyde
  • Nicotinaldehyde

Registry Numbers

CAS Registry Number

  • 500-22-1

FDA UNII

  • 840R4IDQ1T

System Generated Number

  • 0000500221

Structure Descriptors

InChI

1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H

InChIKey

QJZUKDFHGGYHMC-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD25 intraperitoneal 720mg/kg (720mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.8 (none) 20 EXP
log P (octanol-water) 0.29 (none)   EXP
Water Solubility 6.29E+04 mg/L 25 EST
Vapor Pressure 0.568 mm Hg 25 EST
Henry's Law Constant 1.50E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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