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Substance Name: 3-Deazauracil
RN: 626-03-9
UNII: LQ01OR5OK4
InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N

Molecular Formula

  • C5-H5-N-O2

Molecular Weight

  • 111.1
 
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Names and Synonyms

Name of Substance

  • 2,4-Dihydroxypyridine
  • 3-Deazauracil

Synonyms

  • 2(1H)-Pyridinone, 4-hydroxy-
  • 2(1H)-Pyridinone,4-hydroxy
  • 2,4-Dihydroxypyridine
  • 2,4-Pyridinediol
  • 3-Deazauracil
  • 4-Hydroxy-2(1H)-pyridinone
  • EINECS 210-924-8
  • NSC 119859
  • NSC 37839
  • UNII-LQ01OR5OK4

Systematic Names

  • 2(1H)-Pyridinone, 4-hydroxy- (9CI)
  • 2(1H)-Pyridone, 4-hydroxy-
  • 4-Hydroxy-2-pyridone

Registry Numbers

CAS Registry Number

  • 626-03-9

FDA UNII

  • LQ01OR5OK4

System Generated Number

  • 0000626039

Structure Descriptors

InChI

1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)

InChIKey

ZEZJPIDPVXJEME-UHFFFAOYSA-N

Smiles

c1c(ccnc1O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4895mg/kg (4895mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 278 deg C   EXP
log P (octanol-water) 0.590 (none)   EST
Water Solubility 6250 mg/L 20 EXP
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

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