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

C28H28N4NiO2 — CID 3963470

IUPACbis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
SMILESCc1cccc(C/N=C/c2ccccc2O)n1.Cc1cccc(CN=Cc2ccccc2O)n1.[Ni]
InChIInChI=1S/2C14H14N2O.Ni/c2*1-11-5-4-7-13(16-11)10-15-9-12-6-2-3-8-14(12)17;/h2*2-9,17H,10H2,1H3;/b15-9+;;
InChIKeyDIEJJXFZQMWWFM-CBNWXSEKSA-N
MW511.25 g/mol
LogP5.43
Rot. Bonds6

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

bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel (PubChem CID 3963470) has the molecular formula C28H28N4NiO2 and a molecular weight of 511.25 g/mol. Its IUPAC name is bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel.

Molecular Properties

Compound Namebis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
PubChem CID3963470
Molecular FormulaC28H28N4NiO2
Molecular Weight511.25 g/mol
Exact Mass510.16
IUPAC Namebis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
SMILESCc1cccc(C/N=C/c2ccccc2O)n1.Cc1cccc(CN=Cc2ccccc2O)n1.[Ni]
InChIInChI=1S/2C14H14N2O.Ni/c2*1-11-5-4-7-13(16-11)10-15-9-12-6-2-3-8-14(12)17;/h2*2-9,17H,10H2,1H3;/b15-9+;;
InChIKeyDIEJJXFZQMWWFM-CBNWXSEKSA-N
XLogP5.43
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.25
LogP ≤ 55.43
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

2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
2-[[2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15493502
6,6'-Bis(2-hydroxyphenyl)-2,2'-bipyridyl
CID 135430854
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
[(E)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-[(Z)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-nickel
CID 135484770
2-[[(6-Methyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91024653
2-[[2-[(2-Hydroxyphenyl)methyl-(2-methyl-3-pyridinyl)amino]ethyl-(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 91200178
2,2'-[(2,2'-Bipyridine-3,3'-diyl)bis(nitrilomethylidyne)]diphenol
CID 136701704
cyanoiminomethylideneazanide;methanol;bis(nickel(2+));bis(2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate);acetate
CID 139041312
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349

Frequently Asked Questions

What is the IUPAC name of bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The IUPAC name of bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel (CID 3963470) is bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel.
What is the SMILES notation for bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The canonical SMILES for bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel is Cc1cccc(C/N=C/c2ccccc2O)n1.Cc1cccc(CN=Cc2ccccc2O)n1.[Ni].
What is the InChIKey of bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
The InChIKey is DIEJJXFZQMWWFM-CBNWXSEKSA-N. The full InChI is InChI=1S/2C14H14N2O.Ni/c2*1-11-5-4-7-13(16-11)10-15-9-12-6-2-3-8-14(12)17;/h2*2-9,17H,10H2,1H3;/b15-9+;;.
What are the key properties of bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel?
bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel has a molecular weight of 511.25 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel is sourced from PubChem (CID 3963470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).