dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)

C30H32Cu2N4O10 — CID 139044181

IUPACdicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
SMILESCO.CO.O=C([O-])C/N=C/c1ccc(O)cc1[O-].O=C([O-])C/N=C/c1ccc(O)cc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C9H9NO4.2C5H5N.2CH4O.2Cu/c2*11-7-2-1-6(8(12)3-7)4-10-5-9(13)14;2*1-2-4-6-5-3-1;2*1-2;;/h2*1-4,11-12H,5H2,(H,13,14);2*1-5H;2*2H,1H3;;/q;;;;;;2*+2/p-4/b2*10-4+;;;;;;
InChIKeyACSFGJNZXGXWRO-WZTZMBKVSA-J
MW735.70 g/mol
LogP-1.36
Rot. Bonds6

About dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)

dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine) (PubChem CID 139044181) has the molecular formula C30H32Cu2N4O10 and a molecular weight of 735.70 g/mol. Its IUPAC name is dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine).

Molecular Properties

Compound Namedicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
PubChem CID139044181
Molecular FormulaC30H32Cu2N4O10
Molecular Weight735.70 g/mol
Exact Mass734.07
IUPAC Namedicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
SMILESCO.CO.O=C([O-])C/N=C/c1ccc(O)cc1[O-].O=C([O-])C/N=C/c1ccc(O)cc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C9H9NO4.2C5H5N.2CH4O.2Cu/c2*11-7-2-1-6(8(12)3-7)4-10-5-9(13)14;2*1-2-4-6-5-3-1;2*1-2;;/h2*1-4,11-12H,5H2,(H,13,14);2*1-5H;2*2H,1H3;;/q;;;;;;2*+2/p-4/b2*10-4+;;;;;;
InChIKeyACSFGJNZXGXWRO-WZTZMBKVSA-J
XLogP-1.36
TPSA257.80 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.70
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

mu-4,4'-Bipyridine-bis[aqua(N-salicylideneaspartato)copper(II)]
CID 139067261
Bis(mu-2,4-dihydroxyacetophenone salicylhydrazidato)bis[pyridinezinc(II)] dimethylformamide disolvate
CID 139068212
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane-kappa^3^N,O,O']nickel(II) pyridine solvate
CID 139070495
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) gamma
CID 139146570
((mu-bipyridine)bis-((E)-2-((2-aminoethylimino)methyl)phenolato-methanol-copper(ii)))diperchlorate
CID 139156217
copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine
CID 139200891
4-(2-Pyridin-3-ylethyl)benzene-1,3-diol
CID 162046390
Nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
Bis(4-[(6-methyl-2-pyridinyl)methyliminomethyl]benzene-1,3-diol);nickel
CID 5108988
zinc;2-[[(Z)-1,2-dicyano-2-[(4-hydroxy-2-oxidophenyl)methylideneamino]ethenyl]iminomethyl]-5-hydroxyphenolate;methanol;4-pyridin-4-ylpyridine
CID 139205618

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)?
The IUPAC name of dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine) (CID 139044181) is dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine).
What is the SMILES notation for dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)?
The canonical SMILES for dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine) is CO.CO.O=C([O-])C/N=C/c1ccc(O)cc1[O-].O=C([O-])C/N=C/c1ccc(O)cc1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)?
The InChIKey is ACSFGJNZXGXWRO-WZTZMBKVSA-J. The full InChI is InChI=1S/2C9H9NO4.2C5H5N.2CH4O.2Cu/c2*11-7-2-1-6(8(12)3-7)4-10-5-9(13)14;2*1-2-4-6-5-3-1;2*1-2;;/h2*1-4,11-12H,5H2,(H,13,14);2*1-5H;2*2H,1H3;;/q;;;;;;2*+2/p-4/b2*10-4+;;;;;;.
What are the key properties of dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)?
dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine) has a molecular weight of 735.70 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine) is sourced from PubChem (CID 139044181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).