palladium(2+);bis(pyridine);dibenzoate

C24H20N2O4Pd — CID 139119259

IUPACpalladium(2+);bis(pyridine);dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Pd+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H6O2.2C5H5N.Pd/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2
InChIKeyCZTYAEVFSHGVCC-UHFFFAOYSA-L
MW506.85 g/mol
LogP2.26
Rot. Bonds2

About palladium(2+);bis(pyridine);dibenzoate

palladium(2+);bis(pyridine);dibenzoate (PubChem CID 139119259) has the molecular formula C24H20N2O4Pd and a molecular weight of 506.85 g/mol. Its IUPAC name is palladium(2+);bis(pyridine);dibenzoate.

Molecular Properties

Compound Namepalladium(2+);bis(pyridine);dibenzoate
PubChem CID139119259
Molecular FormulaC24H20N2O4Pd
Molecular Weight506.85 g/mol
Exact Mass506.05
IUPAC Namepalladium(2+);bis(pyridine);dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Pd+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H6O2.2C5H5N.Pd/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2
InChIKeyCZTYAEVFSHGVCC-UHFFFAOYSA-L
XLogP2.26
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.85
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze palladium(2+);bis(pyridine);dibenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(pyridine);dibenzoate?
The IUPAC name of palladium(2+);bis(pyridine);dibenzoate (CID 139119259) is palladium(2+);bis(pyridine);dibenzoate.
What is the SMILES notation for palladium(2+);bis(pyridine);dibenzoate?
The canonical SMILES for palladium(2+);bis(pyridine);dibenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Pd+2].c1ccncc1.c1ccncc1.
What is the InChIKey of palladium(2+);bis(pyridine);dibenzoate?
The InChIKey is CZTYAEVFSHGVCC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C5H5N.Pd/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2.
What are the key properties of palladium(2+);bis(pyridine);dibenzoate?
palladium(2+);bis(pyridine);dibenzoate has a molecular weight of 506.85 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(pyridine);dibenzoate is sourced from PubChem (CID 139119259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).