bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate

C30H26N12NiO6 — CID 139071033

IUPACbis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1.c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1
InChIInChI=1S/2C15H13N5.2NO3.Ni/c2*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1(3)4;/h2*1-11H,(H2,16,17,18,19,20);;;/q;;2*-1;+2
InChIKeyOFSSGTXHQMIBMD-UHFFFAOYSA-N
MW709.31 g/mol
LogP6.24
Rot. Bonds8

About bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate

bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate (PubChem CID 139071033) has the molecular formula C30H26N12NiO6 and a molecular weight of 709.31 g/mol. Its IUPAC name is bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate.

Molecular Properties

Compound Namebis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate
PubChem CID139071033
Molecular FormulaC30H26N12NiO6
Molecular Weight709.31 g/mol
Exact Mass708.15
IUPAC Namebis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1.c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1
InChIInChI=1S/2C15H13N5.2NO3.Ni/c2*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1(3)4;/h2*1-11H,(H2,16,17,18,19,20);;;/q;;2*-1;+2
InChIKeyOFSSGTXHQMIBMD-UHFFFAOYSA-N
XLogP6.24
TPSA257.86 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.31
LogP ≤ 56.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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 bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate?
The IUPAC name of bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate (CID 139071033) is bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate.
What is the SMILES notation for bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate?
The canonical SMILES for bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1.c1ccc(Nc2cccc(Nc3ccccn3)n2)nc1.
What is the InChIKey of bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate?
The InChIKey is OFSSGTXHQMIBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13N5.2NO3.Ni/c2*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1(3)4;/h2*1-11H,(H2,16,17,18,19,20);;;/q;;2*-1;+2.
What are the key properties of bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate?
bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate has a molecular weight of 709.31 g/mol, XLogP of 6.24, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine);nickel(2+);dinitrate is sourced from PubChem (CID 139071033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).