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

C26H24Cl2N4NiO2+4 — CID 50919456

IUPACbis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
SMILES[Ni+2].[OH2+]c1ccc(Cl)cc1/C=N/Cc1ccccn1.[OH2+]c1ccc(Cl)cc1/C=N/Cc1ccccn1
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/b2*15-8+;
InChIKeyGPRZCPFZVAYXLI-ILRJJWRASA-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 50919456) 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 CID50919456
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)cc1/C=N/Cc1ccccn1
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/b2*15-8+;
InChIKeyGPRZCPFZVAYXLI-ILRJJWRASA-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-[[(6-chloro-3-pyridinyl)methylamino]methyl]phenol;hydrochloride
CID 56603520
4-Chloro-2-[(pyridin-4-ylmethylamino)methyl]phenol;hydrochloride
CID 56603521
4-Chloro-2-[(quinolin-3-ylamino)methyl]phenol
CID 950814
4-Chloro-2-((3-quinolinylimino)methyl)phenol
CID 270355
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[2-(4-Chlorophenyl)-6-pyridin-2-yl-4-pyridinyl]phenol
CID 60143939
3-[2-(4-Chlorophenyl)-6-pyridin-4-yl-4-pyridinyl]phenol
CID 60144097
3-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 122179982
2-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[6-(3-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091041
4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol
CID 162657251
3-(2-Phenyl-6-pyridin-2-yl-4-pyridinyl)phenol
CID 46887245

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 50919456) 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)cc1/C=N/Cc1ccccn1.
What is the InChIKey of bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)?
The InChIKey is GPRZCPFZVAYXLI-ILRJJWRASA-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/b2*15-8+;.
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 50919456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).