bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)

C26H24Cl2N4NiO2+4 — CID 5036125

IUPACbis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
SMILES[Ni+2].[OH2+]c1ccc(Cl)cc1/C=N/Cc1ccccn1.[OH2+]c1ccc(Cl)cc1C=NCc1ccccn1
InChIInChI=1S/2C13H11ClN2O.Ni/c2*14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;/h2*1-8,17H,9H2;/q;;+2/p+2/b15-8+;;
InChIKeyGPRZCPFZVAYXLI-OLIKVXRNSA-P
MW554.10 g/mol
LogP5.58
Rot. Bonds6

About bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)

bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+) (PubChem CID 5036125) has the molecular formula C26H24Cl2N4NiO2+4 and a molecular weight of 554.10 g/mol. Its IUPAC name is bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+).

Molecular Properties

Compound Namebis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
PubChem CID5036125
Molecular FormulaC26H24Cl2N4NiO2+4
Molecular Weight554.10 g/mol
Exact Mass552.06
IUPAC Namebis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
SMILES[Ni+2].[OH2+]c1ccc(Cl)cc1/C=N/Cc1ccccn1.[OH2+]c1ccc(Cl)cc1C=NCc1ccccn1
InChIInChI=1S/2C13H11ClN2O.Ni/c2*14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;/h2*1-8,17H,9H2;/q;;+2/p+2/b15-8+;;
InChIKeyGPRZCPFZVAYXLI-OLIKVXRNSA-P
XLogP5.58
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.10
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-((3-quinolinylimino)methyl)phenol
CID 270355
3-[2-(3-Chlorophenyl)-6-pyridin-2-yl-4-pyridinyl]phenol
CID 60143774
4-[2-(3-Chlorophenyl)-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136043228
Phenol, 2,4-dichloro-6-(12,13,14,15,15a,15b-hexahydro-10H-pyrido[1',2':3,4]imidazo[1,5-a]pyrrolo[2,1-c]quinoxalin-10-yl)-
CID 328927
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
Di-mu-acetato-kappa^2^O:O;kappa^2^O:O'-bis[(6-chloro-2-{(E)-[(pyridin-2-yl)methylimino]methyl}phenolato-kappa^3^N,N',O)dizinc(II)]
CID 139061695
Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido-kappa^2^O,N^2'^}bis(pyridine-kappaN)zinc(II)
CID 139066978
{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-kappa^3^O,N^2'^,O']benzhydrazido}tris(pyridine-kappaN)nickel(II) pyridine solvate
CID 139066985
Bis{2-bromo-4-chloro-6-[(2-pyridylmethylimino)methyl]phenolato}cadmium(II) methanol monohydrate
CID 139071801
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
[5-Chloro-2-hydroxy-N'-(2-oxidobenzylidene)benzohydrazidato]pyridinecopper(II)
CID 139076810
Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-kappaN]phenolato-kappaO}copper(II)
CID 139076930

Frequently Asked Questions

What is the IUPAC name of bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)?
The IUPAC name of bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+) (CID 5036125) is bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+).
What is the SMILES notation for bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)?
The canonical SMILES for bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+) is [Ni+2].[OH2+]c1ccc(Cl)cc1/C=N/Cc1ccccn1.[OH2+]c1ccc(Cl)cc1C=NCc1ccccn1.
What is the InChIKey of bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)?
The InChIKey is GPRZCPFZVAYXLI-OLIKVXRNSA-P. The full InChI is InChI=1S/2C13H11ClN2O.Ni/c2*14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;/h2*1-8,17H,9H2;/q;;+2/p+2/b15-8+;;.
What are the key properties of bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)?
bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+) has a molecular weight of 554.10 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+) is sourced from PubChem (CID 5036125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).