pyrazine-2,6-dicarboxylic acid

C6H4N2O4 — CID 11601391

IUPACpyrazine-2,6-dicarboxylic acid
SMILESO=C(O)c1cncc(C(=O)O)n1
InChIInChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyCGGUNVYOABLSQD-UHFFFAOYSA-N
MW168.11 g/mol
LogP-0.13
Rot. Bonds2

About pyrazine-2,6-dicarboxylic acid

pyrazine-2,6-dicarboxylic acid (PubChem CID 11601391) has the molecular formula C6H4N2O4 and a molecular weight of 168.11 g/mol. Its IUPAC name is pyrazine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namepyrazine-2,6-dicarboxylic acid
PubChem CID11601391
Molecular FormulaC6H4N2O4
Molecular Weight168.11 g/mol
Exact Mass168.02
IUPAC Namepyrazine-2,6-dicarboxylic acid
SMILESO=C(O)c1cncc(C(=O)O)n1
InChIInChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyCGGUNVYOABLSQD-UHFFFAOYSA-N
XLogP-0.13
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazine-2,6-dicarboxylic acid?
The IUPAC name of pyrazine-2,6-dicarboxylic acid (CID 11601391) is pyrazine-2,6-dicarboxylic acid.
What is the SMILES notation for pyrazine-2,6-dicarboxylic acid?
The canonical SMILES for pyrazine-2,6-dicarboxylic acid is O=C(O)c1cncc(C(=O)O)n1.
What is the InChIKey of pyrazine-2,6-dicarboxylic acid?
The InChIKey is CGGUNVYOABLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12).
What are the key properties of pyrazine-2,6-dicarboxylic acid?
pyrazine-2,6-dicarboxylic acid has a molecular weight of 168.11 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2,6-dicarboxylic acid is sourced from PubChem (CID 11601391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).