acridine;palladium(2+);pyridine-2,6-dicarboxylate

C20H12N2O4Pd — CID 139083449

IUPACacridine;palladium(2+);pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.[Pd+2].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H5NO4.Pd/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-9H;1-3H,(H,9,10)(H,11,12);/q;;+2/p-2
InChIKeyIMLNPILGGXYNNP-UHFFFAOYSA-L
MW450.75 g/mol
LogP1.19
Rot. Bonds2

About acridine;palladium(2+);pyridine-2,6-dicarboxylate

acridine;palladium(2+);pyridine-2,6-dicarboxylate (PubChem CID 139083449) has the molecular formula C20H12N2O4Pd and a molecular weight of 450.75 g/mol. Its IUPAC name is acridine;palladium(2+);pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Nameacridine;palladium(2+);pyridine-2,6-dicarboxylate
PubChem CID139083449
Molecular FormulaC20H12N2O4Pd
Molecular Weight450.75 g/mol
Exact Mass449.98
IUPAC Nameacridine;palladium(2+);pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.[Pd+2].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C7H5NO4.Pd/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-9H;1-3H,(H,9,10)(H,11,12);/q;;+2/p-2
InChIKeyIMLNPILGGXYNNP-UHFFFAOYSA-L
XLogP1.19
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.75
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(Benzhydrylideneamino) quinoline-2-carboxylate
CID 13976405
Quinoline-2-carbonyl quinoline-2-carboxylate
CID 53729387
Styrylquinolinecarboxylic
CID 67859269
Copper;bis(quinoline-2-carboxylic acid)
CID 129680371
Ammonium salt quinoline carboxylic
CID 129690326
Calcium quinolate
CID 129695117
Aluminum quinolate
CID 129705217
Quinaldate nitrogen
CID 129818252
Boron quinolate
CID 129859061
6-Quinolin-2-ylpyridine-2-carboxylic acid
CID 11149369
Iron quinolinate
CID 129668731
Dihydrazinium quinolinate monohydrate
CID 129692831

Frequently Asked Questions

What is the IUPAC name of acridine;palladium(2+);pyridine-2,6-dicarboxylate?
The IUPAC name of acridine;palladium(2+);pyridine-2,6-dicarboxylate (CID 139083449) is acridine;palladium(2+);pyridine-2,6-dicarboxylate.
What is the SMILES notation for acridine;palladium(2+);pyridine-2,6-dicarboxylate?
The canonical SMILES for acridine;palladium(2+);pyridine-2,6-dicarboxylate is O=C([O-])c1cccc(C(=O)[O-])n1.[Pd+2].c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;palladium(2+);pyridine-2,6-dicarboxylate?
The InChIKey is IMLNPILGGXYNNP-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9N.C7H5NO4.Pd/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-9H;1-3H,(H,9,10)(H,11,12);/q;;+2/p-2.
What are the key properties of acridine;palladium(2+);pyridine-2,6-dicarboxylate?
acridine;palladium(2+);pyridine-2,6-dicarboxylate has a molecular weight of 450.75 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;palladium(2+);pyridine-2,6-dicarboxylate is sourced from PubChem (CID 139083449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).