bis(2,6-dimethylpyridine);palladium(2+);diacetate

C18H24N2O4Pd — CID 139114268

IUPACbis(2,6-dimethylpyridine);palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cccc(C)n1.Cc1cccc(C)n1.[Pd+2]
InChIInChI=1S/2C7H9N.2C2H4O2.Pd/c2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;/h2*3-5H,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyYZIUODLGIGOIRF-UHFFFAOYSA-L
MW438.82 g/mol
LogP0.91
Rot. Bonds

About bis(2,6-dimethylpyridine);palladium(2+);diacetate

bis(2,6-dimethylpyridine);palladium(2+);diacetate (PubChem CID 139114268) has the molecular formula C18H24N2O4Pd and a molecular weight of 438.82 g/mol. Its IUPAC name is bis(2,6-dimethylpyridine);palladium(2+);diacetate.

Molecular Properties

Compound Namebis(2,6-dimethylpyridine);palladium(2+);diacetate
PubChem CID139114268
Molecular FormulaC18H24N2O4Pd
Molecular Weight438.82 g/mol
Exact Mass438.08
IUPAC Namebis(2,6-dimethylpyridine);palladium(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cccc(C)n1.Cc1cccc(C)n1.[Pd+2]
InChIInChI=1S/2C7H9N.2C2H4O2.Pd/c2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;/h2*3-5H,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyYZIUODLGIGOIRF-UHFFFAOYSA-L
XLogP0.91
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylpyridine);palladium(2+);diacetate?
The IUPAC name of bis(2,6-dimethylpyridine);palladium(2+);diacetate (CID 139114268) is bis(2,6-dimethylpyridine);palladium(2+);diacetate.
What is the SMILES notation for bis(2,6-dimethylpyridine);palladium(2+);diacetate?
The canonical SMILES for bis(2,6-dimethylpyridine);palladium(2+);diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cccc(C)n1.Cc1cccc(C)n1.[Pd+2].
What is the InChIKey of bis(2,6-dimethylpyridine);palladium(2+);diacetate?
The InChIKey is YZIUODLGIGOIRF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9N.2C2H4O2.Pd/c2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;/h2*3-5H,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of bis(2,6-dimethylpyridine);palladium(2+);diacetate?
bis(2,6-dimethylpyridine);palladium(2+);diacetate has a molecular weight of 438.82 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylpyridine);palladium(2+);diacetate is sourced from PubChem (CID 139114268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).