bis(2-nitroacetate);palladium(2+)

C4H4N2O8Pd — CID 175981842

IUPACbis(2-nitroacetate);palladium(2+)
SMILESO=C([O-])C[N+](=O)[O-].O=C([O-])C[N+](=O)[O-].[Pd+2]
InChIInChI=1S/2C2H3NO4.Pd/c2*4-2(5)1-3(6)7;/h2*1H2,(H,4,5);/q;;+2/p-2
InChIKeyUJRPGLJNLWRPBM-UHFFFAOYSA-L
MW314.50 g/mol
LogP-3.98
Rot. Bonds4

About bis(2-nitroacetate);palladium(2+)

bis(2-nitroacetate);palladium(2+) (PubChem CID 175981842) has the molecular formula C4H4N2O8Pd and a molecular weight of 314.50 g/mol. Its IUPAC name is bis(2-nitroacetate);palladium(2+).

Molecular Properties

Compound Namebis(2-nitroacetate);palladium(2+)
PubChem CID175981842
Molecular FormulaC4H4N2O8Pd
Molecular Weight314.50 g/mol
Exact Mass313.90
IUPAC Namebis(2-nitroacetate);palladium(2+)
SMILESO=C([O-])C[N+](=O)[O-].O=C([O-])C[N+](=O)[O-].[Pd+2]
InChIInChI=1S/2C2H3NO4.Pd/c2*4-2(5)1-3(6)7;/h2*1H2,(H,4,5);/q;;+2/p-2
InChIKeyUJRPGLJNLWRPBM-UHFFFAOYSA-L
XLogP-3.98
TPSA166.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 5-3.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-nitroacetate);palladium(2+)?
The IUPAC name of bis(2-nitroacetate);palladium(2+) (CID 175981842) is bis(2-nitroacetate);palladium(2+).
What is the SMILES notation for bis(2-nitroacetate);palladium(2+)?
The canonical SMILES for bis(2-nitroacetate);palladium(2+) is O=C([O-])C[N+](=O)[O-].O=C([O-])C[N+](=O)[O-].[Pd+2].
What is the InChIKey of bis(2-nitroacetate);palladium(2+)?
The InChIKey is UJRPGLJNLWRPBM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3NO4.Pd/c2*4-2(5)1-3(6)7;/h2*1H2,(H,4,5);/q;;+2/p-2.
What are the key properties of bis(2-nitroacetate);palladium(2+)?
bis(2-nitroacetate);palladium(2+) has a molecular weight of 314.50 g/mol, XLogP of -3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-nitroacetate);palladium(2+) is sourced from PubChem (CID 175981842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).