bis(acetonitrile);palladium(2+);dichloride

C4H4Cl2N2Pd-2 — CID 87370129

IUPACbis(acetonitrile);palladium(2+);dichloride
SMILES[CH2-]C#N.[CH2-]C#N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2/p-2
InChIKeyOOZYVEKOYRASHA-UHFFFAOYSA-L
MW257.42 g/mol
LogP-5.31
Rot. Bonds

About bis(acetonitrile);palladium(2+);dichloride

bis(acetonitrile);palladium(2+);dichloride (PubChem CID 87370129) has the molecular formula C4H4Cl2N2Pd-2 and a molecular weight of 257.42 g/mol. Its IUPAC name is bis(acetonitrile);palladium(2+);dichloride.

Molecular Properties

Compound Namebis(acetonitrile);palladium(2+);dichloride
PubChem CID87370129
Molecular FormulaC4H4Cl2N2Pd-2
Molecular Weight257.42 g/mol
Exact Mass255.88
IUPAC Namebis(acetonitrile);palladium(2+);dichloride
SMILES[CH2-]C#N.[CH2-]C#N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2/p-2
InChIKeyOOZYVEKOYRASHA-UHFFFAOYSA-L
XLogP-5.31
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 5-5.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);palladium(2+);dichloride?
The IUPAC name of bis(acetonitrile);palladium(2+);dichloride (CID 87370129) is bis(acetonitrile);palladium(2+);dichloride.
What is the SMILES notation for bis(acetonitrile);palladium(2+);dichloride?
The canonical SMILES for bis(acetonitrile);palladium(2+);dichloride is [CH2-]C#N.[CH2-]C#N.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of bis(acetonitrile);palladium(2+);dichloride?
The InChIKey is OOZYVEKOYRASHA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of bis(acetonitrile);palladium(2+);dichloride?
bis(acetonitrile);palladium(2+);dichloride has a molecular weight of 257.42 g/mol, XLogP of -5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);palladium(2+);dichloride is sourced from PubChem (CID 87370129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).