pyrazine-2,6-dicarbaldehyde

C6H4N2O2 — CID 23496663

IUPACpyrazine-2,6-dicarbaldehyde
SMILESO=Cc1cncc(C=O)n1
InChIInChI=1S/C6H4N2O2/c9-3-5-1-7-2-6(4-10)8-5/h1-4H
InChIKeyIKTULDHSBKTAJU-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.10
Rot. Bonds2

About pyrazine-2,6-dicarbaldehyde

pyrazine-2,6-dicarbaldehyde (PubChem CID 23496663) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is pyrazine-2,6-dicarbaldehyde.

Molecular Properties

Compound Namepyrazine-2,6-dicarbaldehyde
PubChem CID23496663
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Namepyrazine-2,6-dicarbaldehyde
SMILESO=Cc1cncc(C=O)n1
InChIInChI=1S/C6H4N2O2/c9-3-5-1-7-2-6(4-10)8-5/h1-4H
InChIKeyIKTULDHSBKTAJU-UHFFFAOYSA-N
XLogP0.10
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.10
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 pyrazine-2,6-dicarbaldehyde?
The IUPAC name of pyrazine-2,6-dicarbaldehyde (CID 23496663) is pyrazine-2,6-dicarbaldehyde.
What is the SMILES notation for pyrazine-2,6-dicarbaldehyde?
The canonical SMILES for pyrazine-2,6-dicarbaldehyde is O=Cc1cncc(C=O)n1.
What is the InChIKey of pyrazine-2,6-dicarbaldehyde?
The InChIKey is IKTULDHSBKTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-3-5-1-7-2-6(4-10)8-5/h1-4H.
What are the key properties of pyrazine-2,6-dicarbaldehyde?
pyrazine-2,6-dicarbaldehyde has a molecular weight of 136.11 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2,6-dicarbaldehyde is sourced from PubChem (CID 23496663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).