5-chloropyrazine-2,3-dicarbonitrile

C6HClN4 — CID 12907197

IUPAC5-chloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1ncc(Cl)nc1C#N
InChIInChI=1S/C6HClN4/c7-6-3-10-4(1-8)5(2-9)11-6/h3H
InChIKeyXMUYZFOAVMMUNE-UHFFFAOYSA-N
MW164.56 g/mol
LogP0.87
Rot. Bonds

About 5-chloropyrazine-2,3-dicarbonitrile

5-chloropyrazine-2,3-dicarbonitrile (PubChem CID 12907197) has the molecular formula C6HClN4 and a molecular weight of 164.56 g/mol. Its IUPAC name is 5-chloropyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloropyrazine-2,3-dicarbonitrile
PubChem CID12907197
Molecular FormulaC6HClN4
Molecular Weight164.56 g/mol
Exact Mass163.99
IUPAC Name5-chloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1ncc(Cl)nc1C#N
InChIInChI=1S/C6HClN4/c7-6-3-10-4(1-8)5(2-9)11-6/h3H
InChIKeyXMUYZFOAVMMUNE-UHFFFAOYSA-N
XLogP0.87
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloropyrazine-2,3-dicarbonitrile (CID 12907197) is 5-chloropyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloropyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloropyrazine-2,3-dicarbonitrile is N#Cc1ncc(Cl)nc1C#N.
What is the InChIKey of 5-chloropyrazine-2,3-dicarbonitrile?
The InChIKey is XMUYZFOAVMMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClN4/c7-6-3-10-4(1-8)5(2-9)11-6/h3H.
What are the key properties of 5-chloropyrazine-2,3-dicarbonitrile?
5-chloropyrazine-2,3-dicarbonitrile has a molecular weight of 164.56 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).