Home > Compound List > Compound details
34604-60-9 molecular structure
click picture or here to close

5-hydroxypyrazine-2-carboxylic acid

ChemBase ID: 34404
Molecular Formular: C5H4N2O3
Molecular Mass: 140.09686
Monoisotopic Mass: 140.022192
SMILES and InChIs

SMILES:
c1(ncc(nc1)O)C(=O)O
Canonical SMILES:
Oc1cnc(cn1)C(=O)O
InChI:
InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey:
CGQFCIHUUCMACC-UHFFFAOYSA-N

Cite this record

CBID:34404 http://www.chembase.cn/molecule-34404.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxypyrazine-2-carboxylic acid
IUPAC Traditional name
5-hydroxypyrazine-2-carboxylic acid
Synonyms
5-Hydroxypyrazine-2-carboxylic acid
5-Hydroxy-2-pyrazinecarboxylic acid
4,5-Dihydro-5-oxopyrazinecarboxylic Acid
5-Hydroxypyrazinecarboxylic Acid
5-Hydroxypyrazinoic acid
5-Oxo-4,5-dihydropyrazine-2-carboxylic Acid
2-Carboxy-5-hydroxypyrazine
5-羟基吡嗪-2-羧酸
CAS Number
34604-60-9
MDL Number
MFCD00190599
Beilstein Number
775641
PubChem SID
24880105
160997711
PubChem CID
161825

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6102266  H Acceptors
H Donor LogD (pH = 5.5) -2.0141613 
LogD (pH = 7.4) -3.4676545  Log P -0.1277736 
Molar Refractivity 30.9228 cm3 Polarizability 11.671267 Å3
Polar Surface Area 83.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
Black Solid expand Show data source
Melting Point
>295°C (dec.) expand Show data source
265 - 267°C expand Show data source
Hydrophobicity(logP)
-0.661 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥96.0% (T) expand Show data source
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤5.0% water expand Show data source
Empirical Formula (Hill Notation)
C5H4N2O3 expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H952675 external link
A versatile building block for the synthesis of new antituberculous agents. A metabolite of Pyrazinamide (P840600).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wieser, M. et al.: Appl. Microbiol. Biotech., 48, 174 (1997)
  • • Lacroix, C. et al.: Eur. J. Clin. Pharmacol., 36, 395 (1997)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle