3,6-dichloropyrazine-2,5-dicarbonitrile

C6Cl2N4 — CID 146013391

IUPAC3,6-dichloropyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(Cl)c(C#N)nc1Cl
InChIInChI=1S/C6Cl2N4/c7-5-3(1-9)11-6(8)4(2-10)12-5
InChIKeySILTXHLSAGGGLP-UHFFFAOYSA-N
MW199.00 g/mol
LogP1.53
Rot. Bonds

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

3,6-dichloropyrazine-2,5-dicarbonitrile (PubChem CID 146013391) has the molecular formula C6Cl2N4 and a molecular weight of 199.00 g/mol. Its IUPAC name is 3,6-dichloropyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-dichloropyrazine-2,5-dicarbonitrile
PubChem CID146013391
Molecular FormulaC6Cl2N4
Molecular Weight199.00 g/mol
Exact Mass197.95
IUPAC Name3,6-dichloropyrazine-2,5-dicarbonitrile
SMILESN#Cc1nc(Cl)c(C#N)nc1Cl
InChIInChI=1S/C6Cl2N4/c7-5-3(1-9)11-6(8)4(2-10)12-5
InChIKeySILTXHLSAGGGLP-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyrazine-2,5-dicarbonitrile?
The IUPAC name of 3,6-dichloropyrazine-2,5-dicarbonitrile (CID 146013391) is 3,6-dichloropyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-dichloropyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-dichloropyrazine-2,5-dicarbonitrile is N#Cc1nc(Cl)c(C#N)nc1Cl.
What is the InChIKey of 3,6-dichloropyrazine-2,5-dicarbonitrile?
The InChIKey is SILTXHLSAGGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2N4/c7-5-3(1-9)11-6(8)4(2-10)12-5.
What are the key properties of 3,6-dichloropyrazine-2,5-dicarbonitrile?
3,6-dichloropyrazine-2,5-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 3,6-dichloropyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 146013391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).