5,6-dimethylpyrazine-2,3-dicarbaldehyde

C8H8N2O2 — CID 22151767

IUPAC5,6-dimethylpyrazine-2,3-dicarbaldehyde
SMILESCc1nc(C=O)c(C=O)nc1C
InChIInChI=1S/C8H8N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h3-4H,1-2H3
InChIKeyGBLXTBFDHMGZCO-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.72
Rot. Bonds2

About 5,6-dimethylpyrazine-2,3-dicarbaldehyde

5,6-dimethylpyrazine-2,3-dicarbaldehyde (PubChem CID 22151767) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5,6-dimethylpyrazine-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5,6-dimethylpyrazine-2,3-dicarbaldehyde
PubChem CID22151767
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5,6-dimethylpyrazine-2,3-dicarbaldehyde
SMILESCc1nc(C=O)c(C=O)nc1C
InChIInChI=1S/C8H8N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h3-4H,1-2H3
InChIKeyGBLXTBFDHMGZCO-UHFFFAOYSA-N
XLogP0.72
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyrazine-2,3-dicarbaldehyde?
The IUPAC name of 5,6-dimethylpyrazine-2,3-dicarbaldehyde (CID 22151767) is 5,6-dimethylpyrazine-2,3-dicarbaldehyde.
What is the SMILES notation for 5,6-dimethylpyrazine-2,3-dicarbaldehyde?
The canonical SMILES for 5,6-dimethylpyrazine-2,3-dicarbaldehyde is Cc1nc(C=O)c(C=O)nc1C.
What is the InChIKey of 5,6-dimethylpyrazine-2,3-dicarbaldehyde?
The InChIKey is GBLXTBFDHMGZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-6(2)10-8(4-12)7(3-11)9-5/h3-4H,1-2H3.
What are the key properties of 5,6-dimethylpyrazine-2,3-dicarbaldehyde?
5,6-dimethylpyrazine-2,3-dicarbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyrazine-2,3-dicarbaldehyde is sourced from PubChem (CID 22151767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).