bis(acetonitrile);palladium(2+)

C4H4N2Pd — CID 88710549

IUPACbis(acetonitrile);palladium(2+)
SMILES[CH2-]C#N.[CH2-]C#N.[Pd+2]
InChIInChI=1S/2C2H2N.Pd/c2*1-2-3;/h2*1H2;/q2*-1;+2
InChIKeyDBPFYDBVHYWVMD-UHFFFAOYSA-N
MW186.51 g/mol
LogP0.69
Rot. Bonds

About bis(acetonitrile);palladium(2+)

bis(acetonitrile);palladium(2+) (PubChem CID 88710549) has the molecular formula C4H4N2Pd and a molecular weight of 186.51 g/mol. Its IUPAC name is bis(acetonitrile);palladium(2+).

Molecular Properties

Compound Namebis(acetonitrile);palladium(2+)
PubChem CID88710549
Molecular FormulaC4H4N2Pd
Molecular Weight186.51 g/mol
Exact Mass185.94
IUPAC Namebis(acetonitrile);palladium(2+)
SMILES[CH2-]C#N.[CH2-]C#N.[Pd+2]
InChIInChI=1S/2C2H2N.Pd/c2*1-2-3;/h2*1H2;/q2*-1;+2
InChIKeyDBPFYDBVHYWVMD-UHFFFAOYSA-N
XLogP0.69
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.51
LogP ≤ 50.69
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+)?
The IUPAC name of bis(acetonitrile);palladium(2+) (CID 88710549) is bis(acetonitrile);palladium(2+).
What is the SMILES notation for bis(acetonitrile);palladium(2+)?
The canonical SMILES for bis(acetonitrile);palladium(2+) is [CH2-]C#N.[CH2-]C#N.[Pd+2].
What is the InChIKey of bis(acetonitrile);palladium(2+)?
The InChIKey is DBPFYDBVHYWVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2N.Pd/c2*1-2-3;/h2*1H2;/q2*-1;+2.
What are the key properties of bis(acetonitrile);palladium(2+)?
bis(acetonitrile);palladium(2+) has a molecular weight of 186.51 g/mol, XLogP of 0.69, 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+) is sourced from PubChem (CID 88710549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).