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

C25H19N3O2Zn — CID 139072073

IUPACzinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine
SMILES[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[Zn+2].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.Zn/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;1-2-4-6-5-3-1;/h1-14,23-24H;1-5H;/q;;+2/p-2/b21-13+,22-14+;;
InChIKeyXPPMOXFPQJYWCH-FDOBHKDXSA-L
MW458.84 g/mol
LogP4.41
Rot. Bonds4

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

zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine (PubChem CID 139072073) has the molecular formula C25H19N3O2Zn and a molecular weight of 458.84 g/mol. Its IUPAC name is zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine.

Molecular Properties

Compound Namezinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine
PubChem CID139072073
Molecular FormulaC25H19N3O2Zn
Molecular Weight458.84 g/mol
Exact Mass457.08
IUPAC Namezinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine
SMILES[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[Zn+2].c1ccncc1
InChIInChI=1S/C20H16N2O2.C5H5N.Zn/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;1-2-4-6-5-3-1;/h1-14,23-24H;1-5H;/q;;+2/p-2/b21-13+,22-14+;;
InChIKeyXPPMOXFPQJYWCH-FDOBHKDXSA-L
XLogP4.41
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Beryllium;2-pyridin-2-ylphenolate
CID 100943966
Cobalt, ((alpha,alpha'-(ethylenedinitrilo)di-o-cresolato)(2-))(pyridine)-, stereoisomer
CID 498126
Co(salen)(py)
CID 137224656
Cobalt;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;propan-1-one;pyridine
CID 137302328
ZINC;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;quinoline
CID 139038761
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
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
kappa^4^O,O',N,N'}(pyridine-kappaN)zinc(II)
CID 139072312
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
(Dicyanamido)[2-(2-pyridylmethyliminomethyl)phenolato]copper(II) monohydrate
CID 139074100

Frequently Asked Questions

What is the IUPAC name of zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine?
The IUPAC name of zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine (CID 139072073) is zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine.
What is the SMILES notation for zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine?
The canonical SMILES for zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine is [O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-].[Zn+2].c1ccncc1.
What is the InChIKey of zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine?
The InChIKey is XPPMOXFPQJYWCH-FDOBHKDXSA-L. The full InChI is InChI=1S/C20H16N2O2.C5H5N.Zn/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;1-2-4-6-5-3-1;/h1-14,23-24H;1-5H;/q;;+2/p-2/b21-13+,22-14+;;.
What are the key properties of zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine?
zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine has a molecular weight of 458.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;pyridine is sourced from PubChem (CID 139072073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).