cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate

C34H26N12NiO4 — CID 139145755

IUPACcyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
SMILESN#CN=C=[N-].N#CN=C=[N-].O.O.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ni+2]
InChIInChI=1S/2C15H11N3O.2C2N3.Ni.2H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;2*3-1-5-2-4;;;/h2*1-10H,(H,18,19);;;;2*1H2/q;;2*-1;+2;;
InChIKeyHIPQBLQXDFVIPK-UHFFFAOYSA-N
MW725.36 g/mol
LogP4.59
Rot. Bonds4

About cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate

cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate (PubChem CID 139145755) has the molecular formula C34H26N12NiO4 and a molecular weight of 725.36 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
PubChem CID139145755
Molecular FormulaC34H26N12NiO4
Molecular Weight725.36 g/mol
Exact Mass724.16
IUPAC Namecyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
SMILESN#CN=C=[N-].N#CN=C=[N-].O.O.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ni+2]
InChIInChI=1S/2C15H11N3O.2C2N3.Ni.2H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;2*3-1-5-2-4;;;/h2*1-10H,(H,18,19);;;;2*1H2/q;;2*-1;+2;;
InChIKeyHIPQBLQXDFVIPK-UHFFFAOYSA-N
XLogP4.59
TPSA297.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.36
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Hexasilver;hexakis(6-pyridin-2-ylpyridin-2-olate);octadecahydrate
CID 139129372
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142293
[bis{2,2'-bipyridine-4,4'-diol}copper(II)] nitrate hydrate
CID 139145179
Cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
CID 139197567
Cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139197646
Acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);tribromide;hydrate
CID 139197647
Cobalt(2+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
CID 140694713
Cobalt(3+);tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol)
CID 140694715
Tris(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);tris(2-(4-methyl-2-pyridinyl)pyridin-4-ol);tris(2-pyridin-2-ylpyridine);ruthenium
CID 158044990
Bis(dichloromanganese);2,6-dipyridin-2-ylpyridin-4-ol;2-[(2,6-dipyridin-2-yl-4-pyridinyl)-methylamino]ethanol
CID 158402711
Carbanide;bis(chlororuthenium(1+));2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;2-(4-oxido-2-pyridinyl)pyridin-4-olate
CID 160252227
Sodium;chloroplatinum(1+);bis(2,6-dipyridin-2-ylpyridin-1-id-4-one);phenol;platinum;phenoxide
CID 161283232

Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate?
The IUPAC name of cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate (CID 139145755) is cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate.
What is the SMILES notation for cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate?
The canonical SMILES for cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate is N#CN=C=[N-].N#CN=C=[N-].O.O.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Ni+2].
What is the InChIKey of cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate?
The InChIKey is HIPQBLQXDFVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3O.2C2N3.Ni.2H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;2*3-1-5-2-4;;;/h2*1-10H,(H,18,19);;;;2*1H2/q;;2*-1;+2;;.
What are the key properties of cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate?
cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate has a molecular weight of 725.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate is sourced from PubChem (CID 139145755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).