dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide

C12H15BrCuN2O3 — CID 139147508

IUPACdioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
SMILES[Br-].[Cu].[O-]c1ccccc1/N=C/c1ccccn1.[OH3+].[OH3+]
InChIInChI=1S/C12H10N2O.BrH.Cu.2H2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;;;;/h1-9,15H;1H;;2*1H2/b14-9+;;;;
InChIKeyFCLKBLAUSKQGBI-GPZOHOMCSA-N
MW378.71 g/mol
LogP-2.94
Rot. Bonds2

About dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide

dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide (PubChem CID 139147508) has the molecular formula C12H15BrCuN2O3 and a molecular weight of 378.71 g/mol. Its IUPAC name is dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide.

Molecular Properties

Compound Namedioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
PubChem CID139147508
Molecular FormulaC12H15BrCuN2O3
Molecular Weight378.71 g/mol
Exact Mass376.96
IUPAC Namedioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
SMILES[Br-].[Cu].[O-]c1ccccc1/N=C/c1ccccn1.[OH3+].[OH3+]
InChIInChI=1S/C12H10N2O.BrH.Cu.2H2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;;;;/h1-9,15H;1H;;2*1H2/b14-9+;;;;
InChIKeyFCLKBLAUSKQGBI-GPZOHOMCSA-N
XLogP-2.94
TPSA114.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
CID 175684000
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447
2-[2-(2-oxidophenyl)iminoethylideneamino]phenolate
CID 101383278
1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
CID 102340427
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
CID 71492034
3,6-ditert-butylbenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 158275751

Frequently Asked Questions

What is the IUPAC name of dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide?
The IUPAC name of dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide (CID 139147508) is dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide.
What is the SMILES notation for dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide?
The canonical SMILES for dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide is [Br-].[Cu].[O-]c1ccccc1/N=C/c1ccccn1.[OH3+].[OH3+].
What is the InChIKey of dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide?
The InChIKey is FCLKBLAUSKQGBI-GPZOHOMCSA-N. The full InChI is InChI=1S/C12H10N2O.BrH.Cu.2H2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;;;;/h1-9,15H;1H;;2*1H2/b14-9+;;;;.
What are the key properties of dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide?
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide has a molecular weight of 378.71 g/mol, XLogP of -2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide is sourced from PubChem (CID 139147508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).