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Substance Name: Pyridin-3-ol 1-oxide
RN: 6602-28-4
InChIKey: YMEZKRMAPQIBQH-UHFFFAOYSA-N

Molecular Formula

  • C5-H5-N-O2

Molecular Weight

  • 111.1
 
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Names and Synonyms

Synonyms

  • 1-Oxopyridin-3-ol
  • 3-Hydroxypyridine 1-oxide
  • 3-Hydroxypyridine N-oxide
  • 3-Hydroxypyridine-1-oxide
  • 3-Hydroxypyridine-N-oxide
  • 3-Pyridinol N-oxide
  • 5-21-02-00076 (Beilstein Handbook Reference)
  • BRN 0107683
  • EINECS 229-545-4
  • NSC 21399

Systematic Name

  • Pyridin-3-ol 1-oxide

Registry Numbers

CAS Registry Number

  • 6602-28-4

System Generated Number

  • 0006602284

Structure Descriptors

InChI

1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H

InChIKey

YMEZKRMAPQIBQH-UHFFFAOYSA-N

Smiles

c1c(cccn1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5473mg/kg (5473mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190-192 deg C   EXP
log P (octanol-water) -0.61 (none)   EXP
Water Solubility 3.58E+05 mg/L 25 EST
Vapor Pressure 1.67E-03 mm Hg 25 EST
Henry's Law Constant 7.34E-15 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.