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

C4H6Cl2N2Pd — CID 87121739

IUPACbis(acetonitrile);palladium(2+);dihydrochloride
SMILESCl.Cl.[CH2-]C#N.[CH2-]C#N.[Pd+2]
InChIInChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2
InChIKeyOOZYVEKOYRASHA-UHFFFAOYSA-N
MW259.43 g/mol
LogP1.53
Rot. Bonds

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

bis(acetonitrile);palladium(2+);dihydrochloride (PubChem CID 87121739) has the molecular formula C4H6Cl2N2Pd and a molecular weight of 259.43 g/mol. Its IUPAC name is bis(acetonitrile);palladium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(acetonitrile);palladium(2+);dihydrochloride
PubChem CID87121739
Molecular FormulaC4H6Cl2N2Pd
Molecular Weight259.43 g/mol
Exact Mass257.89
IUPAC Namebis(acetonitrile);palladium(2+);dihydrochloride
SMILESCl.Cl.[CH2-]C#N.[CH2-]C#N.[Pd+2]
InChIInChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2
InChIKeyOOZYVEKOYRASHA-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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+);dihydrochloride?
The IUPAC name of bis(acetonitrile);palladium(2+);dihydrochloride (CID 87121739) is bis(acetonitrile);palladium(2+);dihydrochloride.
What is the SMILES notation for bis(acetonitrile);palladium(2+);dihydrochloride?
The canonical SMILES for bis(acetonitrile);palladium(2+);dihydrochloride is Cl.Cl.[CH2-]C#N.[CH2-]C#N.[Pd+2].
What is the InChIKey of bis(acetonitrile);palladium(2+);dihydrochloride?
The InChIKey is OOZYVEKOYRASHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2N.2ClH.Pd/c2*1-2-3;;;/h2*1H2;2*1H;/q2*-1;;;+2.
What are the key properties of bis(acetonitrile);palladium(2+);dihydrochloride?
bis(acetonitrile);palladium(2+);dihydrochloride has a molecular weight of 259.43 g/mol, XLogP of 1.53, 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+);dihydrochloride is sourced from PubChem (CID 87121739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).