98-97-5
Product Name:
2-Pyrazinecarboxylic acid
Formula:
C5H4N2O2
Synonyms:
Pyrazinecarboxylic acid;Pyrazinoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White solid; [Merck Index] White or off-white powder; [Alfa Aesar MSDS] |
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Chemical Classes | Nitrogen Compounds -> Pyrazines |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.