nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)

C26H22N4NiO2 — CID 170905298

IUPACnickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)
SMILES[Ni+2].[O-]c1ccccc1/C=N/Cc1ccccn1.[O-]c1ccccc1C=NCc1ccccn1
InChIInChI=1S/2C13H12N2O.Ni/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;/h2*1-9,16H,10H2;/q;;+2/p-2/b14-9+;;
InChIKeyRXBWYYWGAJYPTD-CAJRCRMVSA-L
MW481.18 g/mol
LogP3.55
Rot. Bonds6

About nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)

nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate) (PubChem CID 170905298) has the molecular formula C26H22N4NiO2 and a molecular weight of 481.18 g/mol. Its IUPAC name is nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate).

Molecular Properties

Compound Namenickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)
PubChem CID170905298
Molecular FormulaC26H22N4NiO2
Molecular Weight481.18 g/mol
Exact Mass480.11
IUPAC Namenickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)
SMILES[Ni+2].[O-]c1ccccc1/C=N/Cc1ccccn1.[O-]c1ccccc1C=NCc1ccccn1
InChIInChI=1S/2C13H12N2O.Ni/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;/h2*1-9,16H,10H2;/q;;+2/p-2/b14-9+;;
InChIKeyRXBWYYWGAJYPTD-CAJRCRMVSA-L
XLogP3.55
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)?
The IUPAC name of nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate) (CID 170905298) is nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate).
What is the SMILES notation for nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)?
The canonical SMILES for nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate) is [Ni+2].[O-]c1ccccc1/C=N/Cc1ccccn1.[O-]c1ccccc1C=NCc1ccccn1.
What is the InChIKey of nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)?
The InChIKey is RXBWYYWGAJYPTD-CAJRCRMVSA-L. The full InChI is InChI=1S/2C13H12N2O.Ni/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;/h2*1-9,16H,10H2;/q;;+2/p-2/b14-9+;;.
What are the key properties of nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate)?
nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate) has a molecular weight of 481.18 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(2-(pyridin-2-ylmethyliminomethyl)phenolate) is sourced from PubChem (CID 170905298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).