bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate

C26H26N4O8Pd2 — CID 71620227

IUPACbis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
SMILESC(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C18H14N4.4C2H4O2.2Pd/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;4*1-2(3)4;;/h1-14H;4*1H3,(H,3,4);;/q;;;;;2*+2/p-4/b21-13+,22-14+;;;;;;
InChIKeyJWDRKIZPJVMPKR-JRBLGOLTSA-J
MW735.35 g/mol
LogP-1.00
Rot. Bonds4

About bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate

bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate (PubChem CID 71620227) has the molecular formula C26H26N4O8Pd2 and a molecular weight of 735.35 g/mol. Its IUPAC name is bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate.

Molecular Properties

Compound Namebis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
PubChem CID71620227
Molecular FormulaC26H26N4O8Pd2
Molecular Weight735.35 g/mol
Exact Mass733.98
IUPAC Namebis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
SMILESC(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C18H14N4.4C2H4O2.2Pd/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;4*1-2(3)4;;/h1-14H;4*1H3,(H,3,4);;/q;;;;;2*+2/p-4/b21-13+,22-14+;;;;;;
InChIKeyJWDRKIZPJVMPKR-JRBLGOLTSA-J
XLogP-1.00
TPSA211.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate?
The IUPAC name of bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate (CID 71620227) is bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate.
What is the SMILES notation for bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate?
The canonical SMILES for bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate is C(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2].
What is the InChIKey of bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate?
The InChIKey is JWDRKIZPJVMPKR-JRBLGOLTSA-J. The full InChI is InChI=1S/C18H14N4.4C2H4O2.2Pd/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;4*1-2(3)4;;/h1-14H;4*1H3,(H,3,4);;/q;;;;;2*+2/p-4/b21-13+,22-14+;;;;;;.
What are the key properties of bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate?
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate has a molecular weight of 735.35 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate is sourced from PubChem (CID 71620227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).