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Substance Name: Isonicotinic acid
RN: 55-22-1
UNII: Y8SYN761TQ
InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N

Note

  • Heterocyclic acids that are derivatives of 4-pyridinecarboxylic acid (isonicotinic acid).

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H5-N-O2

Molecular Weight

  • 123.1105
 
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Names and Synonyms

Results Name

  • Isonicotinic acid

Name of Substance

  • Isonicotinic acid

MeSH Heading

  • Isonicotinic Acids

Synonyms

  • 1,4-Dihydroisonicotinic acid
  • 4-Carboxypyridine
  • 4-Picolinic acid
  • 4-Pyridinecarboxylic acid
  • Acide iso-nicotinique
  • Acide iso-nicotinique [French]
  • AI3-19239
  • EINECS 200-228-2
  • gamma-Picolinic acid
  • gamma-Pyridinecarboxylic acid
  • INA
  • Isonicotinic acid
  • NSC 1483
  • p-Pyridinecarboxylic acid
  • UNII-Y8SYN761TQ

Systematic Names

  • 4-Pyridinecarboxylic acid
  • Isonicotinic acid

Registry Numbers

CAS Registry Number

  • 55-22-1

FDA UNII

  • Y8SYN761TQ

System Generated Number

  • 0000055221

Structure Descriptors

InChI

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

InChIKey

TWBYWOBDOCUKOW-UHFFFAOYSA-N

Smiles

OC(=O)c1ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 436mg/kg (436mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 11, Pg. 481, 1977.
mouse LD50 intravenous 5gm/kg (5000mg/kg)   Therapie. Vol. 23, Pg. 1343, 1968.
mouse LD50 oral 3123mg/kg (3123mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 11, Pg. 481, 1977.
rat LD50 oral 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 11, Pg. 481, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 315 deg C   EXP
pKa Dissociation Constant 4.9 (none)   EXP
log P (octanol-water) 0.32 (none)   EXP
Water Solubility 5200 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.