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Substance Name: Isonicotinamide
RN: 1453-82-3
UNII: 4H3BH6YX9Q
InChIKey: VFQXVTODMYMSMJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H6-N2-O

Molecular Weight

  • 122.126
 
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Names and Synonyms

Name of Substance

  • Isonicotinamide

Synonyms

  • 4-Carbamoylpyridine
  • 5-22-02-00195 (Beilstein Handbook Reference)
  • BRN 0002173
  • EINECS 215-926-2
  • gamma-Pyridinecarboxamide
  • Isonicotinamide
  • Isonicotinic acid amide
  • UNII-4H3BH6YX9Q

Systematic Names

  • 4-Pyridinecarboxamide
  • Isonicotinamide

Registry Numbers

CAS Registry Number

  • 1453-82-3

FDA UNII

  • 4H3BH6YX9Q

System Generated Number

  • 0001453823

Structure Descriptors

InChI

1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

InChIKey

VFQXVTODMYMSMJ-UHFFFAOYSA-N

Smiles

c1(ccncc1)C(N)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155-157 deg C   EXP
pKa Dissociation Constant 3.61 (none) 20 EXP
log P (octanol-water) -0.28 (none)   EXP
Water Solubility 1.71E+05 mg/L 25 EST
Vapor Pressure 4.20E-04 mm Hg 25 EST
Henry's Law Constant 2.90E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.34E-12 cm3/molecule-sec 25 EST

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