copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate

C18H12CuN4O6 — CID 139067535

IUPACcopper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate
SMILESO=C([O-])c1cccc[n+]1[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H5NO3.Cu.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6(9)5-3-1-2-4-7(5)10;;2-1(3)4/h1-8H;1-4H,(H,8,9);;/q;;+2;-1/p-1
InChIKeyFCPHDAXZFXONHU-UHFFFAOYSA-M
MW443.86 g/mol
LogP1.22
Rot. Bonds1

About copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate

copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate (PubChem CID 139067535) has the molecular formula C18H12CuN4O6 and a molecular weight of 443.86 g/mol. Its IUPAC name is copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate.

Molecular Properties

Compound Namecopper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate
PubChem CID139067535
Molecular FormulaC18H12CuN4O6
Molecular Weight443.86 g/mol
Exact Mass443.01
IUPAC Namecopper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate
SMILESO=C([O-])c1cccc[n+]1[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H5NO3.Cu.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6(9)5-3-1-2-4-7(5)10;;2-1(3)4/h1-8H;1-4H,(H,8,9);;/q;;+2;-1/p-1
InChIKeyFCPHDAXZFXONHU-UHFFFAOYSA-M
XLogP1.22
TPSA159.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Nvp abe171
CID 9799389
1,10-Phenanthroline-2-carboxylic acid
CID 99561
4-[8-(3-Nitrophenyl)-1,7-naphthyridin-6-yl]benzoate
CID 44629541
1,10-Phenanthrolin-10-ium; pyridine-2,6-dicarboxylate
CID 71597283
Iron(II) phenanthrolinate
CID 14491537
ZINC phenanthrolinate
CID 129680858
Copper phenanthrolinate
CID 129735529
Copper(i) bis(1,10-phenanthrolinate)
CID 129761104
Iron(III) tris-(1,10-phenanthrolinate)
CID 129761151
Ruthenium phenanthrolinate
CID 129801043
Cadmium phenanthrolinate
CID 129818634
Iron(II) tris-(1,10-phenanthrolinate) perchlorate
CID 129849860

Frequently Asked Questions

What is the IUPAC name of copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate?
The IUPAC name of copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate (CID 139067535) is copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate.
What is the SMILES notation for copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate?
The canonical SMILES for copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate is O=C([O-])c1cccc[n+]1[O-].O=[N+]([O-])[O-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate?
The InChIKey is FCPHDAXZFXONHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8N2.C6H5NO3.Cu.NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6(9)5-3-1-2-4-7(5)10;;2-1(3)4/h1-8H;1-4H,(H,8,9);;/q;;+2;-1/p-1.
What are the key properties of copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate?
copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate has a molecular weight of 443.86 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-oxidopyridin-1-ium-2-carboxylate;1,10-phenanthroline;nitrate is sourced from PubChem (CID 139067535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).