bis(acetonitrile);chloropalladium(1+);nitrate

C4H6ClN3O3Pd — CID 15368189

IUPACbis(acetonitrile);chloropalladium(1+);nitrate
SMILESCC#N.CC#N.Cl[Pd+].O=[N+]([O-])[O-]
InChIInChI=1S/2C2H3N.ClH.NO3.Pd/c2*1-2-3;;2-1(3)4;/h2*1H3;1H;;/q;;;-1;+2/p-1
InChIKeyUHPCMLQUEJVJSO-UHFFFAOYSA-M
MW285.98 g/mol
LogP1.51
Rot. Bonds

About bis(acetonitrile);chloropalladium(1+);nitrate

bis(acetonitrile);chloropalladium(1+);nitrate (PubChem CID 15368189) has the molecular formula C4H6ClN3O3Pd and a molecular weight of 285.98 g/mol. Its IUPAC name is bis(acetonitrile);chloropalladium(1+);nitrate.

Molecular Properties

Compound Namebis(acetonitrile);chloropalladium(1+);nitrate
PubChem CID15368189
Molecular FormulaC4H6ClN3O3Pd
Molecular Weight285.98 g/mol
Exact Mass284.91
IUPAC Namebis(acetonitrile);chloropalladium(1+);nitrate
SMILESCC#N.CC#N.Cl[Pd+].O=[N+]([O-])[O-]
InChIInChI=1S/2C2H3N.ClH.NO3.Pd/c2*1-2-3;;2-1(3)4;/h2*1H3;1H;;/q;;;-1;+2/p-1
InChIKeyUHPCMLQUEJVJSO-UHFFFAOYSA-M
XLogP1.51
TPSA113.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.98
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);chloropalladium(1+);nitrate?
The IUPAC name of bis(acetonitrile);chloropalladium(1+);nitrate (CID 15368189) is bis(acetonitrile);chloropalladium(1+);nitrate.
What is the SMILES notation for bis(acetonitrile);chloropalladium(1+);nitrate?
The canonical SMILES for bis(acetonitrile);chloropalladium(1+);nitrate is CC#N.CC#N.Cl[Pd+].O=[N+]([O-])[O-].
What is the InChIKey of bis(acetonitrile);chloropalladium(1+);nitrate?
The InChIKey is UHPCMLQUEJVJSO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H3N.ClH.NO3.Pd/c2*1-2-3;;2-1(3)4;/h2*1H3;1H;;/q;;;-1;+2/p-1.
What are the key properties of bis(acetonitrile);chloropalladium(1+);nitrate?
bis(acetonitrile);chloropalladium(1+);nitrate has a molecular weight of 285.98 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);chloropalladium(1+);nitrate is sourced from PubChem (CID 15368189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).