nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate

C20H14N2NiO2-2 — CID 58725494

IUPACnickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
SMILES[Ni].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-]
InChIInChI=1S/C20H16N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/p-2/b21-13+,22-14+;
InChIKeyNGCXCGQPUMDVAF-JKBLJYNNSA-L
MW373.04 g/mol
LogP3.33
Rot. Bonds4

About nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate

nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate (PubChem CID 58725494) has the molecular formula C20H14N2NiO2-2 and a molecular weight of 373.04 g/mol. Its IUPAC name is nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate.

Molecular Properties

Compound Namenickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
PubChem CID58725494
Molecular FormulaC20H14N2NiO2-2
Molecular Weight373.04 g/mol
Exact Mass372.04
IUPAC Namenickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
SMILES[Ni].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-]
InChIInChI=1S/C20H16N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/p-2/b21-13+,22-14+;
InChIKeyNGCXCGQPUMDVAF-JKBLJYNNSA-L
XLogP3.33
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 101450590
5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
CID 23631665
2-[(2-oxidophenyl)iminomethyl]phenolate;platinum(2+);pyridin-4-ylmethanol
CID 10186083
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748
4-fluoro-2-[[2-[(5-fluoro-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;platinum(2+)
CID 86298558
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806

Frequently Asked Questions

What is the IUPAC name of nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The IUPAC name of nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate (CID 58725494) is nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate.
What is the SMILES notation for nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The canonical SMILES for nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate is [Ni].[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].
What is the InChIKey of nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The InChIKey is NGCXCGQPUMDVAF-JKBLJYNNSA-L. The full InChI is InChI=1S/C20H16N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/p-2/b21-13+,22-14+;.
What are the key properties of nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate has a molecular weight of 373.04 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate is sourced from PubChem (CID 58725494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).