palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate

C20H18N8O6Pd — CID 139083374

IUPACpalladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/2C10H9N3.2NO3.Pd/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3)4;/h2*1-8H,(H,11,12,13);;;/q;;2*-1;+2
InChIKeyFJLBOYZHADXYTO-UHFFFAOYSA-N
MW572.83 g/mol
LogP3.96
Rot. Bonds4

About palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate

palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate (PubChem CID 139083374) has the molecular formula C20H18N8O6Pd and a molecular weight of 572.83 g/mol. Its IUPAC name is palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate.

Molecular Properties

Compound Namepalladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate
PubChem CID139083374
Molecular FormulaC20H18N8O6Pd
Molecular Weight572.83 g/mol
Exact Mass572.04
IUPAC Namepalladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/2C10H9N3.2NO3.Pd/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3)4;/h2*1-8H,(H,11,12,13);;;/q;;2*-1;+2
InChIKeyFJLBOYZHADXYTO-UHFFFAOYSA-N
XLogP3.96
TPSA208.02 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.83
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
CID 139148951
zinc;bis(N-pyridin-2-ylpyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139162570
N2,N4,N6-Tri(pyridin-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 85951515
Tetrapyridylethylenediamine
CID 10021950
2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
CID 12105540
N2,N2,N4,N4,N6,N6-Hexa(pyridin-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 59203920
2-N,2-N,6-N,6-N-tetrapyridin-2-ylpyridine-2,6-diamine
CID 101177533
Hafnium pyridylamide
CID 129774105
Dipyridylamine
CID 139053634
Stannanediamine,1-diethyl-N,N,N',N'-tetra-2-pyridinyl-
CID 9569394
Hexakis(ethane-1,2-diamine);hexakis(palladium(2+));tetrakis(2,4,6-tripyridin-4-yl-1,3,5-triazine);dodecanitrate
CID 11982523

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate?
The IUPAC name of palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate (CID 139083374) is palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate.
What is the SMILES notation for palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate?
The canonical SMILES for palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pd+2].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate?
The InChIKey is FJLBOYZHADXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N3.2NO3.Pd/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3)4;/h2*1-8H,(H,11,12,13);;;/q;;2*-1;+2.
What are the key properties of palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate?
palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate has a molecular weight of 572.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(N-pyridin-2-ylpyridin-2-amine);dinitrate is sourced from PubChem (CID 139083374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).