copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate

C26H24CuI2N4O8 — CID 139084759

IUPACcopper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.O=C([O-])c1ccccc1I.O=C([O-])c1ccccc1I.[Cu+2]
InChIInChI=1S/2C7H5IO2.2C6H6N2O.Cu.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;;;/h2*1-4H,(H,9,10);2*1-4H,(H2,7,9);;2*1H2/q;;;;+2;;/p-2
InChIKeyDLICFWTWLLIKNH-UHFFFAOYSA-L
MW837.85 g/mol
LogP0.02
Rot. Bonds4

About copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate

copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate (PubChem CID 139084759) has the molecular formula C26H24CuI2N4O8 and a molecular weight of 837.85 g/mol. Its IUPAC name is copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate.

Molecular Properties

Compound Namecopper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate
PubChem CID139084759
Molecular FormulaC26H24CuI2N4O8
Molecular Weight837.85 g/mol
Exact Mass836.90
IUPAC Namecopper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.O=C([O-])c1ccccc1I.O=C([O-])c1ccccc1I.[Cu+2]
InChIInChI=1S/2C7H5IO2.2C6H6N2O.Cu.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;;;/h2*1-4H,(H,9,10);2*1-4H,(H2,7,9);;2*1H2/q;;;;+2;;/p-2
InChIKeyDLICFWTWLLIKNH-UHFFFAOYSA-L
XLogP0.02
TPSA255.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500837.85
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate 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

Triphenylantimony bis(nicotinate)
CID 16696457
[Tris(4-methylphenyl)-(pyridine-3-carbonyloxy)-lambda5-stibanyl] pyridine-3-carboxylate
CID 16696458
4-[[4-[1-[(4-Carboxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 86074431
N-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enoyl]pyridine-3-carboxamide
CID 134922254
dizinc;bis(4-[(E)-2-phenylethenyl]pyridine);tetrabenzoate
CID 139048284
bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II)
CID 139054336
bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)
CID 139054914
copper;bis(N,N-diethylpyridine-3-carboxamide);dibenzoate
CID 139055182
copper;bis(N,N-diethylpyridine-3-carboxamide);bis(4-nitrobenzoate);dihydrate
CID 139055588
bis(salicylato)bis(nicotinamide)copper(II)
CID 139055713
trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)
CID 139056414
Bis(2-aminopyridine-N)zinc dibenzoate
CID 139057815

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate?
The IUPAC name of copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate (CID 139084759) is copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate.
What is the SMILES notation for copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate?
The canonical SMILES for copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate is NC(=O)c1cccnc1.NC(=O)c1cccnc1.O.O.O=C([O-])c1ccccc1I.O=C([O-])c1ccccc1I.[Cu+2].
What is the InChIKey of copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate?
The InChIKey is DLICFWTWLLIKNH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5IO2.2C6H6N2O.Cu.2H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*7-6(9)5-2-1-3-8-4-5;;;/h2*1-4H,(H,9,10);2*1-4H,(H2,7,9);;2*1H2/q;;;;+2;;/p-2.
What are the key properties of copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate?
copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate has a molecular weight of 837.85 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-iodobenzoate);bis(pyridine-3-carboxamide);dihydrate is sourced from PubChem (CID 139084759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).