bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel

C28H28N4NiO4 — CID 5108988

IUPACbis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel
SMILESCc1cccc(C/N=C/c2ccc(O)cc2O)n1.Cc1cccc(CN=Cc2ccc(O)cc2O)n1.[Ni]
InChIInChI=1S/2C14H14N2O2.Ni/c2*1-10-3-2-4-12(16-10)9-15-8-11-5-6-13(17)7-14(11)18;/h2*2-8,17-18H,9H2,1H3;/b15-8+;;
InChIKeyBGNXDKKBZGAZAF-OLIKVXRNSA-N
MW543.25 g/mol
LogP4.84
Rot. Bonds6

About bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel

bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel (PubChem CID 5108988) has the molecular formula C28H28N4NiO4 and a molecular weight of 543.25 g/mol. Its IUPAC name is bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel.

Molecular Properties

Compound Namebis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel
PubChem CID5108988
Molecular FormulaC28H28N4NiO4
Molecular Weight543.25 g/mol
Exact Mass542.15
IUPAC Namebis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel
SMILESCc1cccc(C/N=C/c2ccc(O)cc2O)n1.Cc1cccc(CN=Cc2ccc(O)cc2O)n1.[Ni]
InChIInChI=1S/2C14H14N2O2.Ni/c2*1-10-3-2-4-12(16-10)9-15-8-11-5-6-13(17)7-14(11)18;/h2*2-8,17-18H,9H2,1H3;/b15-8+;;
InChIKeyBGNXDKKBZGAZAF-OLIKVXRNSA-N
XLogP4.84
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.25
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
CID 139044181
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisocyanate
CID 139176794
2-Methylbenzene-1,3-diol;2-pyridin-2-ylpyridine
CID 139200814
copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine
CID 139200891
Bis{mu-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
CID 168309718
Nickel;2-[3-(6-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]phenol
CID 153498949
4-(Pyridin-2-ylmethyl)benzene-1,3-diol
CID 160275713
4-[(6-Methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol
CID 424120
Nickel;bis(2-(pyridin-2-ylmethyliminomethyl)phenol)
CID 3552662
Nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
Bis(2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
CID 3963470
Bis(4-chloro-2-[(6-methyl-2-pyridinyl)methyliminomethyl]phenol);nickel
CID 4201457

Frequently Asked Questions

What is the IUPAC name of bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel?
The IUPAC name of bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel (CID 5108988) is bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel.
What is the SMILES notation for bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel?
The canonical SMILES for bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel is Cc1cccc(C/N=C/c2ccc(O)cc2O)n1.Cc1cccc(CN=Cc2ccc(O)cc2O)n1.[Ni].
What is the InChIKey of bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel?
The InChIKey is BGNXDKKBZGAZAF-OLIKVXRNSA-N. The full InChI is InChI=1S/2C14H14N2O2.Ni/c2*1-10-3-2-4-12(16-10)9-15-8-11-5-6-13(17)7-14(11)18;/h2*2-8,17-18H,9H2,1H3;/b15-8+;;.
What are the key properties of bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel?
bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel has a molecular weight of 543.25 g/mol, XLogP of 4.84, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel is sourced from PubChem (CID 5108988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).