copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate

C20H21CuN3O5 — CID 139072899

IUPACcopper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate
SMILESO.O.O=C([O-])CC/N=C/c1ccccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H11NO3.Cu.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-9-4-2-1-3-8(9)7-11-6-5-10(13)14;;;/h1-8H;1-4,7,12H,5-6H2,(H,13,14);;2*1H2/q;;+2;;/p-2/b;11-7+;;;
InChIKeyZXNRYSGJVMCJMC-MLZKWYFPSA-L
MW446.95 g/mol
LogP-0.19
Rot. Bonds5

About copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate

copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate (PubChem CID 139072899) has the molecular formula C20H21CuN3O5 and a molecular weight of 446.95 g/mol. Its IUPAC name is copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate.

Molecular Properties

Compound Namecopper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate
PubChem CID139072899
Molecular FormulaC20H21CuN3O5
Molecular Weight446.95 g/mol
Exact Mass446.08
IUPAC Namecopper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate
SMILESO.O.O=C([O-])CC/N=C/c1ccccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H11NO3.Cu.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-9-4-2-1-3-8(9)7-11-6-5-10(13)14;;;/h1-8H;1-4,7,12H,5-6H2,(H,13,14);;2*1H2/q;;+2;;/p-2/b;11-7+;;;
InChIKeyZXNRYSGJVMCJMC-MLZKWYFPSA-L
XLogP-0.19
TPSA164.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Copper;2-[[(3-tert-butyl-2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-6-(trifluoromethyl)phenolate;acetate
CID 139170909
2-[[(3,5-Dimethyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenolate;bis(propan-2-olate);zirconium(4+)
CID 139039284
cyanoiminomethylideneazanide;methanol;bis(nickel(2+));bis(2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate);acetate
CID 139041312
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)
CID 139055888
Aqua(2,4-dimethylpyridine((N-salicylideneglycinato)copper(II)
CID 139056066
Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)
CID 139056181
Aqua(2-methylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)
CID 139056333
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
(Dicyanamido)[2-(2-pyridylmethyliminomethyl)phenolato]copper(II) monohydrate
CID 139074100
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
{[N-(5-(phenyldiazenyl)salicylidene](2, 2'-bipyridine)}Copper(II)
CID 139077492

Frequently Asked Questions

What is the IUPAC name of copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate?
The IUPAC name of copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate (CID 139072899) is copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate.
What is the SMILES notation for copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate?
The canonical SMILES for copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate is O.O.O=C([O-])CC/N=C/c1ccccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate?
The InChIKey is ZXNRYSGJVMCJMC-MLZKWYFPSA-L. The full InChI is InChI=1S/C10H8N2.C10H11NO3.Cu.2H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-9-4-2-1-3-8(9)7-11-6-5-10(13)14;;;/h1-8H;1-4,7,12H,5-6H2,(H,13,14);;2*1H2/q;;+2;;/p-2/b;11-7+;;;.
What are the key properties of copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate?
copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate has a molecular weight of 446.95 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-[(2-oxidophenyl)methylideneamino]propanoate;2-pyridin-2-ylpyridine;dihydrate is sourced from PubChem (CID 139072899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).