copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate

C17H13CuN3O4 — CID 139066860

IUPACcopper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
SMILESO=[N+]([O-])[O-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1
InChIInChI=1S/C17H14N2O.Cu.NO3/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;;2-1(3)4/h1-10,12,20H,11H2;;/q;+2;-1/p-1/b18-12+;;
InChIKeyXQLZPWVWJMZKFM-JKXROLASSA-M
MW386.85 g/mol
LogP2.69
Rot. Bonds3

About copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate

copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate (PubChem CID 139066860) has the molecular formula C17H13CuN3O4 and a molecular weight of 386.85 g/mol. Its IUPAC name is copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate.

Molecular Properties

Compound Namecopper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
PubChem CID139066860
Molecular FormulaC17H13CuN3O4
Molecular Weight386.85 g/mol
Exact Mass386.02
IUPAC Namecopper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
SMILESO=[N+]([O-])[O-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1
InChIInChI=1S/C17H14N2O.Cu.NO3/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;;2-1(3)4/h1-10,12,20H,11H2;;/q;+2;-1/p-1/b18-12+;;
InChIKeyXQLZPWVWJMZKFM-JKXROLASSA-M
XLogP2.69
TPSA114.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

3-[(E)-N-hydroxy-C-[(E)-2-pyridin-3-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094869
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-4-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094870
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-2-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094875
1-{[(3-Pyridinylmethyl)imino]methyl}-2-naphthol
CID 708864
1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
CID 56675931
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
1-(3-Pyridylmethyliminomethyl)-2-naphthol
CID 137146492
1-Pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
CID 137348646
1-(Isoquinolin-1-yl)naphthalen-2-ol
CID 135454774
1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine
CID 142975922
N'-[(2-hydroxy-1-naphthyl)methylene]-2-pyridinecarboximidohydrazide
CID 137082071
1-(Pyridin-2-yl)naphthalen-2-ol
CID 136163178

Frequently Asked Questions

What is the IUPAC name of copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The IUPAC name of copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate (CID 139066860) is copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate.
What is the SMILES notation for copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The canonical SMILES for copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate is O=[N+]([O-])[O-].[Cu+2].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.
What is the InChIKey of copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The InChIKey is XQLZPWVWJMZKFM-JKXROLASSA-M. The full InChI is InChI=1S/C17H14N2O.Cu.NO3/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;;2-1(3)4/h1-10,12,20H,11H2;;/q;+2;-1/p-1/b18-12+;;.
What are the key properties of copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate has a molecular weight of 386.85 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate is sourced from PubChem (CID 139066860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).