nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)

C26H24N4NiO4 — CID 3688663

IUPACnickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
SMILESOc1ccc(/C=N/Cc2ccccn2)c(O)c1.Oc1ccc(C=NCc2ccccn2)c(O)c1.[Ni]
InChIInChI=1S/2C13H12N2O2.Ni/c2*16-12-5-4-10(13(17)7-12)8-14-9-11-3-1-2-6-15-11;/h2*1-8,16-17H,9H2;/b14-8+;;
InChIKeyXGGMWSNPYUHPNW-JPMXUBAOSA-N
MW515.20 g/mol
LogP4.22
Rot. Bonds6

About nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)

nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol) (PubChem CID 3688663) has the molecular formula C26H24N4NiO4 and a molecular weight of 515.20 g/mol. Its IUPAC name is nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol).

Molecular Properties

Compound Namenickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
PubChem CID3688663
Molecular FormulaC26H24N4NiO4
Molecular Weight515.20 g/mol
Exact Mass514.12
IUPAC Namenickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
SMILESOc1ccc(/C=N/Cc2ccccn2)c(O)c1.Oc1ccc(C=NCc2ccccn2)c(O)c1.[Ni]
InChIInChI=1S/2C13H12N2O2.Ni/c2*16-12-5-4-10(13(17)7-12)8-14-9-11-3-1-2-6-15-11;/h2*1-8,16-17H,9H2;/b14-8+;;
InChIKeyXGGMWSNPYUHPNW-JPMXUBAOSA-N
XLogP4.22
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.20
LogP ≤ 54.22
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

2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
CID 135936172
2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)aniline
CID 89061491
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
CID 91466095
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
CID 135828521
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970

Frequently Asked Questions

What is the IUPAC name of nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)?
The IUPAC name of nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol) (CID 3688663) is nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol).
What is the SMILES notation for nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)?
The canonical SMILES for nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol) is Oc1ccc(/C=N/Cc2ccccn2)c(O)c1.Oc1ccc(C=NCc2ccccn2)c(O)c1.[Ni].
What is the InChIKey of nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)?
The InChIKey is XGGMWSNPYUHPNW-JPMXUBAOSA-N. The full InChI is InChI=1S/2C13H12N2O2.Ni/c2*16-12-5-4-10(13(17)7-12)8-14-9-11-3-1-2-6-15-11;/h2*1-8,16-17H,9H2;/b14-8+;;.
What are the key properties of nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)?
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol) has a molecular weight of 515.20 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol) is sourced from PubChem (CID 3688663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).