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Substance Name: 3-Pyridinol
RN: 109-00-2
UNII: 4KBE4P5B6S
InChIKey: GRFNBEZIAWKNCO-UHFFFAOYSA-N

Classification Codes

  • Antioxidants
  • Protective Agents

Molecular Formula

  • C5-H5-N-O

Molecular Weight

  • 95.1005
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxypyridine
  • 3-Pyridinol

Synonyms

  • 3-Hydroxypyridine
  • 3-Oxopyridine
  • 3-Pyridol
  • 3-Pyridone
  • 3-Pyridyl alcohol
  • AI3-19237
  • beta-Hydroxypyridine
  • EINECS 203-637-4
  • m-Hydroxypyridine
  • NSC 18470
  • UNII-4KBE4P5B6S

Systematic Name

  • 3-Pyridinol

Registry Numbers

CAS Registry Number

  • 109-00-2

FDA UNII

  • 4KBE4P5B6S

Other Registry Number

  • 58064-43-0

Related Registry Number

  • 52536-09-1 (hydrochloride salt)

System Generated Number

  • 0000109002

Structure Descriptors

InChI

1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H

InChIKey

GRFNBEZIAWKNCO-UHFFFAOYSA-N

Smiles

c1(cccnc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mammal (species unspecified) LD50 unreported 900mg/kg (900mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 16, Pg. 259, 1982.
mouse LD50 intraperitoneal 1822mg/kg (1822mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127.5 deg C   EXP
pKa Dissociation Constant 8.72 (none) 20 EXP
log P (octanol-water) 0.48 (none)   EXP
Water Solubility 3.33E+04 mg/L 20 EXP
Vapor Pressure 0.552 mm Hg 25 EST
Henry's Law Constant 7.34E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.46E-12 cm3/molecule-sec 25 EST

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