Pyrazinoic acid

Names

IUPAC name

pyrazine-2-carboxylic acid

Identifiers

CAS Number

98-97-5^Y

3D model (Jmol)

CHEBI:71311^N

ChEMBL613^Y

1018^Y

ECHA InfoCard

InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)^Y
Key: NIPZZXUFJPQHNH-UHFFFAOYSA-N^Y
InChI=1/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
Key: NIPZZXUFJPQHNH-UHFFFAOYAS

SMILES

O=C(O)c1nccnc1

Properties

Chemical formula

C₅H₄N₂O₂

Molar mass

124.10 g/mol

Appearance

white to off white crystalline powder

Density

1.403g/cm³

Melting point

222 to 225 °C (432 to 437 °F; 495 to 498 K)

Boiling point

313.1 °C (595.6 °F; 586.2 K) at 760 mmHg

Solubility in water

soluble in cold water

Acidity (pK_a)

2.9

Hazards

Flash point

143.1 °C (289.6 °F; 416.2 K)

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

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Infobox references

Pyrazinoic acid is a pyrazinamide metabolite.

Derivatives/uses

It is a part of the bortezomib molecule.

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