VGL

PYRAZINE-2-CARBOXYLIC ACID

Created: 2009-09-15
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count6
2D diagram of VGL

Chemical Component Summary

NamePYRAZINE-2-CARBOXYLIC ACID
SynonymsPYRAZINOIC ACID
Systematic Name (OpenEye OEToolkits)pyrazine-2-carboxylic acid
FormulaC5 H4 N2 O2
Molecular Weight124.097
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1nccnc1
SMILESCACTVS3.352OC(=O)c1cnccn1
SMILESOpenEye OEToolkits1.6.1c1cnc(cn1)C(=O)O
Canonical SMILESCACTVS3.352 OC(=O)c1cnccn1
Canonical SMILESOpenEye OEToolkits1.6.1 c1cnc(cn1)C(=O)O
InChIInChI1.03 InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyInChI1.03 NIPZZXUFJPQHNH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL613
PubChem 1047
ChEMBL CHEMBL613
ChEBI CHEBI:71311
CCDC/CSD PYAZAC02, VOLRIA, JOWZIG, PYAZAC01, JOXBEF, JOWZIG01, PYAZAC
COD 2214203, 2207725