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Substance Name: Picolinic acid
RN: 98-98-6
UNII: QZV2W997JQ
InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N

Note

  • Iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides.

Molecular Formula

  • C6-H5-N-O2

Molecular Weight

  • 123.1105
 

Classification Codes

  • Chelating Agents
  • Iron Chelating Agents
  • Sequestering Agents
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Names and Synonyms

Name of Substance

  • Picolinic acid

Synonyms

  • 2-Carboxypyridine
  • 2-Pyridinecarboxylic acid
  • 5-22-02-00003 (Beilstein Handbook Reference)
  • Acide picolique
  • Acide picolique [French]
  • AI3-19242
  • alpha-Pyridinecarboxylic acid
  • BRN 0109595
  • CCRIS 8307
  • EINECS 202-719-7
  • NSC 171
  • NSC 21209
  • o-Pyridinecarboxylic acid
  • Picolinic acid
  • Pyridine-carboxylique-2
  • Pyridine-carboxylique-2 [French]
  • UNII-QZV2W997JQ

Systematic Names

  • 2-Pyridinecarboxylic acid
  • Picolinic acid

Registry Numbers

CAS Registry Number

  • 98-98-6

FDA UNII

  • QZV2W997JQ

Other Registry Number

  • 1580002-25-0

Related Registry Numbers

  • 57665-05-1 (hydrochloride salt)
  • 636-80-6 (hydrochloride)

System Generated Number

  • 0000098986

Structure Descriptors

InChI

1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)

InChIKey

SIOXPEMLGUPBBT-UHFFFAOYSA-N

Smiles

c1(ccccn1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 178mg/kg (178mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 360mg/kg (360mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 17, Pg. 2377, 1969.
mouse LD50 intravenous 487mg/kg (487mg/kg)   Therapie. Vol. 23, Pg. 1343, 1968.
quail LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 136.5 deg C   EXP
pKa Dissociation Constant 5.39 (none) 25 EXP
log P (octanol-water) 0.72 (none)   EXP
Water Solubility 9.60E+05 mg/L 20 EXP
Vapor Pressure 7.89E-03 mm Hg 25 EST
Henry's Law Constant 1.42E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.57E-13 cm3/molecule-sec 25 EST

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