chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate

C11H14ClCuN3O4 — CID 46838697

IUPACchlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate
SMILESCl[Cu+].O=[N+]([O-])c1ccc([O-])c(/C=N/CCNCCO)c1
InChIInChI=1S/C11H15N3O4.ClH.Cu/c15-6-5-12-3-4-13-8-9-7-10(14(17)18)1-2-11(9)16;;/h1-2,7-8,12,15-16H,3-6H2;1H;/q;;+2/p-2/b13-8+;;
InChIKeyCBEPLZSBUXUBBA-LIYVDSPJSA-L
MW351.25 g/mol
LogP0.36
Rot. Bonds7

About chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate

chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate (PubChem CID 46838697) has the molecular formula C11H14ClCuN3O4 and a molecular weight of 351.25 g/mol. Its IUPAC name is chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate.

Molecular Properties

Compound Namechlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate
PubChem CID46838697
Molecular FormulaC11H14ClCuN3O4
Molecular Weight351.25 g/mol
Exact Mass350.00
IUPAC Namechlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate
SMILESCl[Cu+].O=[N+]([O-])c1ccc([O-])c(/C=N/CCNCCO)c1
InChIInChI=1S/C11H15N3O4.ClH.Cu/c15-6-5-12-3-4-13-8-9-7-10(14(17)18)1-2-11(9)16;;/h1-2,7-8,12,15-16H,3-6H2;1H;/q;;+2/p-2/b13-8+;;
InChIKeyCBEPLZSBUXUBBA-LIYVDSPJSA-L
XLogP0.36
TPSA110.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
copper;4-bromo-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate;acetate
CID 56849889
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-4-nitrophenolate
CID 7666580
4-nitro-2-(prop-2-ynyliminomethyl)phenolate
CID 7608898
2-(benzyliminomethyl)-4-nitrophenolate
CID 2185214
2-[(2-chlorophenyl)methyliminomethyl]-4-nitrophenolate
CID 7606291
iron(3+);bis(2-[2-(methylamino)ethyliminomethyl]-4-nitrophenol)
CID 135459871
2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]-4-nitrophenolate
CID 7300824
bis(2-[2-(diethylazaniumyl)ethyliminomethyl]-4-nitrophenolate);nickel(2+);diisothiocyanate;dihydrate
CID 139069295
4-[(5-nitro-2-oxidophenyl)methylideneamino]benzoate
CID 6940189
2-[3-(N-ethylanilino)propyliminomethyl]-4-nitrophenolate
CID 7505762
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703

Frequently Asked Questions

What is the IUPAC name of chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate?
The IUPAC name of chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate (CID 46838697) is chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate.
What is the SMILES notation for chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate?
The canonical SMILES for chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate is Cl[Cu+].O=[N+]([O-])c1ccc([O-])c(/C=N/CCNCCO)c1.
What is the InChIKey of chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate?
The InChIKey is CBEPLZSBUXUBBA-LIYVDSPJSA-L. The full InChI is InChI=1S/C11H15N3O4.ClH.Cu/c15-6-5-12-3-4-13-8-9-7-10(14(17)18)1-2-11(9)16;;/h1-2,7-8,12,15-16H,3-6H2;1H;/q;;+2/p-2/b13-8+;;.
What are the key properties of chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate?
chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate has a molecular weight of 351.25 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate is sourced from PubChem (CID 46838697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).