5,6-dichloropyrazine-2,3-dicarbonitrile

C6Cl2N4 — CID 607820

IUPAC5,6-dichloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(Cl)c(Cl)nc1C#N
InChIInChI=1S/C6Cl2N4/c7-5-6(8)12-4(2-10)3(1-9)11-5
InChIKeyQUFXYBKGILUJHS-UHFFFAOYSA-N
MW199.00 g/mol
LogP1.53
Rot. Bonds

About 5,6-dichloropyrazine-2,3-dicarbonitrile

5,6-dichloropyrazine-2,3-dicarbonitrile (PubChem CID 607820) has the molecular formula C6Cl2N4 and a molecular weight of 199.00 g/mol. Its IUPAC name is 5,6-dichloropyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6-dichloropyrazine-2,3-dicarbonitrile
PubChem CID607820
Molecular FormulaC6Cl2N4
Molecular Weight199.00 g/mol
Exact Mass197.95
IUPAC Name5,6-dichloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(Cl)c(Cl)nc1C#N
InChIInChI=1S/C6Cl2N4/c7-5-6(8)12-4(2-10)3(1-9)11-5
InChIKeyQUFXYBKGILUJHS-UHFFFAOYSA-N
XLogP1.53
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazinetetracarbonitrile
CID 300186
3,5-Dichloro-6-fluoropyrazine-2-carbonitrile
CID 157023097
Cccwzrvildjmpf-uhfffaoysa-
CID 21586359
5-Chloro-6-methylpyrazine-2,3-dicarbonitrile
CID 12907198
3,5,6-Trichloropyrazine-2-carbonitrile
CID 84819884
CID 89081645
CID 89081645
3,6-Dichloro-5-iodopyrazine-2-carbonitrile
CID 89081727
5,6-Dichloro-3-methylpyrazine-2-carbonitrile
CID 156875184
3-Bromo-5,6-dichloropyrazine-2-carbonitrile
CID 46835190
3,6-Dichloropyrazine-2,5-dicarbonitrile
CID 146013391

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloropyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,6-dichloropyrazine-2,3-dicarbonitrile (CID 607820) is 5,6-dichloropyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,6-dichloropyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,6-dichloropyrazine-2,3-dicarbonitrile is N#Cc1nc(Cl)c(Cl)nc1C#N.
What is the InChIKey of 5,6-dichloropyrazine-2,3-dicarbonitrile?
The InChIKey is QUFXYBKGILUJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2N4/c7-5-6(8)12-4(2-10)3(1-9)11-5.
What are the key properties of 5,6-dichloropyrazine-2,3-dicarbonitrile?
5,6-dichloropyrazine-2,3-dicarbonitrile has a molecular weight of 199.00 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 607820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).