bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel

C28H26Cl2N4NiO2 — CID 4201457

IUPACbis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
SMILESCc1cccc(C/N=C/c2cc(Cl)ccc2O)n1.Cc1cccc(CN=Cc2cc(Cl)ccc2O)n1.[Ni]
InChIInChI=1S/2C14H13ClN2O.Ni/c2*1-10-3-2-4-13(17-10)9-16-8-11-7-12(15)5-6-14(11)18;/h2*2-8,18H,9H2,1H3;/b16-8+;;
InChIKeyXDJBFZBCCGDEHT-RFZNCAAWSA-N
MW580.14 g/mol
LogP6.73
Rot. Bonds6

About bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel

bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel (PubChem CID 4201457) has the molecular formula C28H26Cl2N4NiO2 and a molecular weight of 580.14 g/mol. Its IUPAC name is bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel.

Molecular Properties

Compound Namebis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
PubChem CID4201457
Molecular FormulaC28H26Cl2N4NiO2
Molecular Weight580.14 g/mol
Exact Mass578.08
IUPAC Namebis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
SMILESCc1cccc(C/N=C/c2cc(Cl)ccc2O)n1.Cc1cccc(CN=Cc2cc(Cl)ccc2O)n1.[Ni]
InChIInChI=1S/2C14H13ClN2O.Ni/c2*1-10-3-2-4-13(17-10)9-16-8-11-7-12(15)5-6-14(11)18;/h2*2-8,18H,9H2,1H3;/b16-8+;;
InChIKeyXDJBFZBCCGDEHT-RFZNCAAWSA-N
XLogP6.73
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.14
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
4-Chloro-2-[[2-[(5-chloro-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493504
4-Chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol
CID 424136
Nickel;bis(2-(pyridin-2-ylmethyliminomethyl)phenol)
CID 3552662
Bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
CID 3963470
Bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
CID 5036125
Bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel
CID 5108988
Bis([4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenyl]oxidanium);nickel(2+)
CID 50919456
4-chloro-2-[[[(2R)-2-[(5-chloro-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl]-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102312677

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The IUPAC name of bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel (CID 4201457) is bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel.
What is the SMILES notation for bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The canonical SMILES for bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel is Cc1cccc(C/N=C/c2cc(Cl)ccc2O)n1.Cc1cccc(CN=Cc2cc(Cl)ccc2O)n1.[Ni].
What is the InChIKey of bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The InChIKey is XDJBFZBCCGDEHT-RFZNCAAWSA-N. The full InChI is InChI=1S/2C14H13ClN2O.Ni/c2*1-10-3-2-4-13(17-10)9-16-8-11-7-12(15)5-6-14(11)18;/h2*2-8,18H,9H2,1H3;/b16-8+;;.
What are the key properties of bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel has a molecular weight of 580.14 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel is sourced from PubChem (CID 4201457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).