copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate

C22H24ClCuN3O6 — CID 139177150

IUPACcopper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/CCCN(CCO)Cc1ccccn1
InChIInChI=1S/C22H25N3O2.ClHO4.Cu/c26-15-14-25(17-19-7-3-4-12-24-19)13-5-11-23-16-21-20-8-2-1-6-18(20)9-10-22(21)27;2-1(3,4)5;/h1-4,6-10,12,16,26-27H,5,11,13-15,17H2;(H,2,3,4,5);/q;;+2/p-2/b23-16+;;
InChIKeyPBFRDRWIZSFUSC-CGSMVWNQSA-L
MW525.45 g/mol
LogP-2.15
Rot. Bonds9

About copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate

copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate (PubChem CID 139177150) has the molecular formula C22H24ClCuN3O6 and a molecular weight of 525.45 g/mol. Its IUPAC name is copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate.

Molecular Properties

Compound Namecopper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate
PubChem CID139177150
Molecular FormulaC22H24ClCuN3O6
Molecular Weight525.45 g/mol
Exact Mass524.06
IUPAC Namecopper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/CCCN(CCO)Cc1ccccn1
InChIInChI=1S/C22H25N3O2.ClHO4.Cu/c26-15-14-25(17-19-7-3-4-12-24-19)13-5-11-23-16-21-20-8-2-1-6-18(20)9-10-22(21)27;2-1(3,4)5;/h1-4,6-10,12,16,26-27H,5,11,13-15,17H2;(H,2,3,4,5);/q;;+2/p-2/b23-16+;;
InChIKeyPBFRDRWIZSFUSC-CGSMVWNQSA-L
XLogP-2.15
TPSA164.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-Hydroxynaphthalen-1-yl)-pyridin-4-ylmethyl]piperidin-4-ol
CID 56662189
1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
CID 56675931
[1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-yl] acetate
CID 56682559
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
1-[[2-Hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol
CID 4091216
1-[Pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 123873324
1-[Morpholino(pyridin-4-yl)methyl]naphthalen-2-ol
CID 132426857
6-[6-[5-[6-Hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 136707669
2-[[(3,5-Dimethyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenolate;bis(propan-2-olate);zirconium(4+)
CID 139039284
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(propan-2-olate);zirconium(4+)
CID 139039285
2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;hafnium(4+);bis(propan-2-olate)
CID 139039286
Naphthalene-2,3-diolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139059130

Frequently Asked Questions

What is the IUPAC name of copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate?
The IUPAC name of copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate (CID 139177150) is copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate.
What is the SMILES notation for copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate?
The canonical SMILES for copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/CCCN(CCO)Cc1ccccn1.
What is the InChIKey of copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate?
The InChIKey is PBFRDRWIZSFUSC-CGSMVWNQSA-L. The full InChI is InChI=1S/C22H25N3O2.ClHO4.Cu/c26-15-14-25(17-19-7-3-4-12-24-19)13-5-11-23-16-21-20-8-2-1-6-18(20)9-10-22(21)27;2-1(3,4)5;/h1-4,6-10,12,16,26-27H,5,11,13-15,17H2;(H,2,3,4,5);/q;;+2/p-2/b23-16+;;.
What are the key properties of copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate?
copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate has a molecular weight of 525.45 g/mol, XLogP of -2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-[3-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]propyliminomethyl]naphthalen-2-olate;perchlorate is sourced from PubChem (CID 139177150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).