2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride

C28H30Cl2N6O4Pd2 — CID 3081848

IUPAC2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride
SMILESNC(CCCCC(N)C(=O)[O-])C(=O)[O-].[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H16N2O4.2ClH.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-5(7(11)12)3-1-2-4-6(10)8(13)14;;;;/h2*1-8H;5-6H,1-4,9-10H2,(H,11,12)(H,13,14);2*1H;;/q;;;;;2*+2/p-4
InChIKeyIKHQLXSBBMZDHZ-UHFFFAOYSA-J
MW798.33 g/mol
LogP-5.01
Rot. Bonds9

About 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride

2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride (PubChem CID 3081848) has the molecular formula C28H30Cl2N6O4Pd2 and a molecular weight of 798.33 g/mol. Its IUPAC name is 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride.

Molecular Properties

Compound Name2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride
PubChem CID3081848
Molecular FormulaC28H30Cl2N6O4Pd2
Molecular Weight798.33 g/mol
Exact Mass795.98
IUPAC Name2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride
SMILESNC(CCCCC(N)C(=O)[O-])C(=O)[O-].[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H16N2O4.2ClH.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-5(7(11)12)3-1-2-4-6(10)8(13)14;;;;/h2*1-8H;5-6H,1-4,9-10H2,(H,11,12)(H,13,14);2*1H;;/q;;;;;2*+2/p-4
InChIKeyIKHQLXSBBMZDHZ-UHFFFAOYSA-J
XLogP-5.01
TPSA183.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500798.33
LogP ≤ 5-5.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
2,6-diaminohexanoate;quinolin-8-olate;thorium(4+);dinitrate
CID 71625008
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
2-amino-3-(4-hydroxyphenyl)propanoic acid;copper;2-pyridin-2-ylpyridine
CID 174728149
dioxidanium;bis((Z)-but-2-enedioate);nickel;tetrakis(2-pyridin-2-ylpyridine);tridecahydrate
CID 139075709
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
lithium (2S)-2,6-diaminohexanoate
CID 87930747
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride?
The IUPAC name of 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride (CID 3081848) is 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride.
What is the SMILES notation for 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride?
The canonical SMILES for 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride is NC(CCCCC(N)C(=O)[O-])C(=O)[O-].[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride?
The InChIKey is IKHQLXSBBMZDHZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.C8H16N2O4.2ClH.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-5(7(11)12)3-1-2-4-6(10)8(13)14;;;;/h2*1-8H;5-6H,1-4,9-10H2,(H,11,12)(H,13,14);2*1H;;/q;;;;;2*+2/p-4.
What are the key properties of 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride?
2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride has a molecular weight of 798.33 g/mol, XLogP of -5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diaminooctanedioate;bis(palladium(2+));bis(2-pyridin-2-ylpyridine);dichloride is sourced from PubChem (CID 3081848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).