bis(acetonitrile);dichloropalladium

C4H6Cl2N2Pd — CID 4193574

IUPACbis(acetonitrile);dichloropalladium
SMILESCC#N.CC#N.Cl[Pd]Cl
InChIInChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
InChIKeyRBYGDVHOECIAFC-UHFFFAOYSA-L
MW259.43 g/mol
LogP2.44
Rot. Bonds

About bis(acetonitrile);dichloropalladium

bis(acetonitrile);dichloropalladium (PubChem CID 4193574) has the molecular formula C4H6Cl2N2Pd and a molecular weight of 259.43 g/mol. Its IUPAC name is bis(acetonitrile);dichloropalladium.

Molecular Properties

Compound Namebis(acetonitrile);dichloropalladium
PubChem CID4193574
Molecular FormulaC4H6Cl2N2Pd
Molecular Weight259.43 g/mol
Exact Mass257.89
IUPAC Namebis(acetonitrile);dichloropalladium
SMILESCC#N.CC#N.Cl[Pd]Cl
InChIInChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
InChIKeyRBYGDVHOECIAFC-UHFFFAOYSA-L
XLogP2.44
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);dichloropalladium?
The IUPAC name of bis(acetonitrile);dichloropalladium (CID 4193574) is bis(acetonitrile);dichloropalladium.
What is the SMILES notation for bis(acetonitrile);dichloropalladium?
The canonical SMILES for bis(acetonitrile);dichloropalladium is CC#N.CC#N.Cl[Pd]Cl.
What is the InChIKey of bis(acetonitrile);dichloropalladium?
The InChIKey is RBYGDVHOECIAFC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(acetonitrile);dichloropalladium?
bis(acetonitrile);dichloropalladium has a molecular weight of 259.43 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);dichloropalladium is sourced from PubChem (CID 4193574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).