copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine

C24H20CuN4O6 — CID 139200891

IUPACcopper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine
SMILES[Cu+2].[O-]c1cc(O)ccc1/C=N/O.[O-]c1cc(O)ccc1/C=N/O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H7NO3.Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6-2-1-5(4-8-11)7(10)3-6;/h1-8H;2*1-4,9-11H;/q;;;+2/p-2/b;2*8-4+;
InChIKeyWBZCFMWEBVHYNO-LPDMCXDZSA-L
MW523.99 g/mol
LogP2.69
Rot. Bonds3

About copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine

copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine (PubChem CID 139200891) has the molecular formula C24H20CuN4O6 and a molecular weight of 523.99 g/mol. Its IUPAC name is copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namecopper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine
PubChem CID139200891
Molecular FormulaC24H20CuN4O6
Molecular Weight523.99 g/mol
Exact Mass523.07
IUPAC Namecopper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine
SMILES[Cu+2].[O-]c1cc(O)ccc1/C=N/O.[O-]c1cc(O)ccc1/C=N/O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H7NO3.Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6-2-1-5(4-8-11)7(10)3-6;/h1-8H;2*1-4,9-11H;/q;;;+2/p-2/b;2*8-4+;
InChIKeyWBZCFMWEBVHYNO-LPDMCXDZSA-L
XLogP2.69
TPSA177.54 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.99
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[(E)-(quinolin-6-ylimino)methyl]benzene-1,3-diol
CID 660294
4-(1-(Pyridin-3-yl)ethyl)benzene-1,3-diol
CID 68281549
Phloretin isonicotinyl hydrazone
CID 137250088
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
4-[(E)-(5-pyridin-3-yl-2,3-dihydropyrrol-4-ylidene)methyl]benzene-1,3-diol
CID 136244998
N'-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]pyridine-4-carboximidamide
CID 136184537
4-[(E)-(4-pyridin-4-ylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934965

Frequently Asked Questions

What is the IUPAC name of copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine?
The IUPAC name of copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine (CID 139200891) is copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine.
What is the SMILES notation for copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine?
The canonical SMILES for copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine is [Cu+2].[O-]c1cc(O)ccc1/C=N/O.[O-]c1cc(O)ccc1/C=N/O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine?
The InChIKey is WBZCFMWEBVHYNO-LPDMCXDZSA-L. The full InChI is InChI=1S/C10H8N2.2C7H7NO3.Cu/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*9-6-2-1-5(4-8-11)7(10)3-6;/h1-8H;2*1-4,9-11H;/q;;;+2/p-2/b;2*8-4+;.
What are the key properties of copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine?
copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine has a molecular weight of 523.99 g/mol, XLogP of 2.69, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate);4-pyridin-4-ylpyridine is sourced from PubChem (CID 139200891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).