copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine

C25H19CuN5O3 — CID 139077492

IUPACcopper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine
SMILESO=C([O-])CN=Cc1cc(/N=N/c2ccccc2)ccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H13N3O3.C10H8N2.Cu/c19-14-7-6-13(8-11(14)9-16-10-15(20)21)18-17-12-4-2-1-3-5-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9,19H,10H2,(H,20,21);1-8H;/q;;+2/p-2/b16-9?,18-17+;;
InChIKeyQMKOXRIAFCYUDL-XSTMPEESSA-L
MW501.01 g/mol
LogP3.49
Rot. Bonds6

About copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine

copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine (PubChem CID 139077492) has the molecular formula C25H19CuN5O3 and a molecular weight of 501.01 g/mol. Its IUPAC name is copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecopper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine
PubChem CID139077492
Molecular FormulaC25H19CuN5O3
Molecular Weight501.01 g/mol
Exact Mass500.08
IUPAC Namecopper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine
SMILESO=C([O-])CN=Cc1cc(/N=N/c2ccccc2)ccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H13N3O3.C10H8N2.Cu/c19-14-7-6-13(8-11(14)9-16-10-15(20)21)18-17-12-4-2-1-3-5-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9,19H,10H2,(H,20,21);1-8H;/q;;+2/p-2/b16-9?,18-17+;;
InChIKeyQMKOXRIAFCYUDL-XSTMPEESSA-L
XLogP3.49
TPSA126.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
(2,2'-Bipyridine-kappa^2^N,N')[3-(2-oxidobenzylideneamino)propanoato-kappa^3^O,N,O']copper(II) dihydrate
CID 139072899
(2,2'-Bipyridine-kappa^2^N,N'){N-[(2-oxidonaphthalen-1-yl-kappaO)methylidene]-L-valinato-kappaO}copper(II) trihydrate
CID 139083753
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dinitrate
CID 139176791
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisothiocyanate
CID 139176793
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisocyanate
CID 139176794
Azido{2-[(tri-2-pyridylmethyl)iminomethyl]phenolato}nickel(II)
CID 168309350
Bis{mu-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
CID 168309718
Bis[2-(8-quinolyliminomethyl)phenolato-kappa^3^N,N',O]iron(III) azide
CID 168309797

Frequently Asked Questions

What is the IUPAC name of copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine?
The IUPAC name of copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine (CID 139077492) is copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine.
What is the SMILES notation for copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine?
The canonical SMILES for copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine is O=C([O-])CN=Cc1cc(/N=N/c2ccccc2)ccc1[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine?
The InChIKey is QMKOXRIAFCYUDL-XSTMPEESSA-L. The full InChI is InChI=1S/C15H13N3O3.C10H8N2.Cu/c19-14-7-6-13(8-11(14)9-16-10-15(20)21)18-17-12-4-2-1-3-5-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9,19H,10H2,(H,20,21);1-8H;/q;;+2/p-2/b16-9?,18-17+;;.
What are the key properties of copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine?
copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine has a molecular weight of 501.01 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[(2-oxido-5-phenyldiazenylphenyl)methylideneamino]acetate;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139077492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).