dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide

C24H18Cu2F2N4O3 — CID 139130220

IUPACdicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide
SMILES[Cu+2].[Cu+2].[O-]c1c(F)cccc1/C=N/CC([O-])C/N=C/c1cccc(F)c1[O-].c1cnc2[n-]ccc2c1
InChIInChI=1S/C17H15F2N2O3.C7H5N2.2Cu/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24;1-2-6-3-5-9-7(6)8-4-1;;/h1-8,13,23-24H,9-10H2;1-5H;;/q2*-1;2*+2/p-2/b20-7+,21-8+;;;
InChIKeyQKKPSWFJWQLHDZ-FAVRNVGXSA-L
MW575.52 g/mol
LogP1.57
Rot. Bonds6

About dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide

dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide (PubChem CID 139130220) has the molecular formula C24H18Cu2F2N4O3 and a molecular weight of 575.52 g/mol. Its IUPAC name is dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide.

Molecular Properties

Compound Namedicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide
PubChem CID139130220
Molecular FormulaC24H18Cu2F2N4O3
Molecular Weight575.52 g/mol
Exact Mass573.99
IUPAC Namedicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide
SMILES[Cu+2].[Cu+2].[O-]c1c(F)cccc1/C=N/CC([O-])C/N=C/c1cccc(F)c1[O-].c1cnc2[n-]ccc2c1
InChIInChI=1S/C17H15F2N2O3.C7H5N2.2Cu/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24;1-2-6-3-5-9-7(6)8-4-1;;/h1-8,13,23-24H,9-10H2;1-5H;;/q2*-1;2*+2/p-2/b20-7+,21-8+;;;
InChIKeyQKKPSWFJWQLHDZ-FAVRNVGXSA-L
XLogP1.57
TPSA120.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.52
LogP ≤ 51.57
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

Tetracopper;methanol;bis(2-[[2-oxido-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(pyrrolo[2,3-b]pyridin-1-ide)
CID 139130221

Frequently Asked Questions

What is the IUPAC name of dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide?
The IUPAC name of dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide (CID 139130220) is dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide.
What is the SMILES notation for dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide?
The canonical SMILES for dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide is [Cu+2].[Cu+2].[O-]c1c(F)cccc1/C=N/CC([O-])C/N=C/c1cccc(F)c1[O-].c1cnc2[n-]ccc2c1.
What is the InChIKey of dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide?
The InChIKey is QKKPSWFJWQLHDZ-FAVRNVGXSA-L. The full InChI is InChI=1S/C17H15F2N2O3.C7H5N2.2Cu/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24;1-2-6-3-5-9-7(6)8-4-1;;/h1-8,13,23-24H,9-10H2;1-5H;;/q2*-1;2*+2/p-2/b20-7+,21-8+;;;.
What are the key properties of dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide?
dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide has a molecular weight of 575.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2-fluoro-6-[[3-[(3-fluoro-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate;pyrrolo[2,3-b]pyridin-1-ide is sourced from PubChem (CID 139130220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).