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98-97-5

98-97-5 structural image
Product Name: 2-Pyrazinecarboxylic acid
Formula: C5H4N2O2
Synonyms: Pyrazinecarboxylic acid;Pyrazinoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index] White or off-white powder; [Alfa Aesar MSDS]
Chemical Classes Nitrogen Compounds -> Pyrazines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 124.10 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 124.027277375 g/mol
Monoisotopic Mass 124.027277375 g/mol
Topological Polar Surface Area 63.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 116
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pyrazine-2-carboxylic acid is the parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. It has a role as a drug metabolite and an antitubercular agent. It is a conjugate acid of a pyrazine-2-carboxylate.

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