copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine

C36H42CuN2O6 — CID 139206344

IUPACcopper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
SMILESCC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.CC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C13H18O3.C10H8N2.Cu/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*5-8,14H,1-4H3,(H,15,16);1-8H;/q;;;+2/p-2
InChIKeyCKDTXXXLEPOBAR-UHFFFAOYSA-L
MW662.29 g/mol
LogP6.15
Rot. Bonds7

About copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine

copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine (PubChem CID 139206344) has the molecular formula C36H42CuN2O6 and a molecular weight of 662.29 g/mol. Its IUPAC name is copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecopper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
PubChem CID139206344
Molecular FormulaC36H42CuN2O6
Molecular Weight662.29 g/mol
Exact Mass661.23
IUPAC Namecopper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
SMILESCC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.CC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C13H18O3.C10H8N2.Cu/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*5-8,14H,1-4H3,(H,15,16);1-8H;/q;;;+2/p-2
InChIKeyCKDTXXXLEPOBAR-UHFFFAOYSA-L
XLogP6.15
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.29
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine 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

copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine
CID 139142709
copper;2-oxidobenzoate;2-pyridin-2-ylpyridine
CID 24944135
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
hexaoxidanium;tetrakis(2-oxidobenzoate);tetrakis(2-pyridin-2-ylpyridine);zinc;tetrahydrate
CID 139059413
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
CID 132850801
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
CID 21119514
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine?
The IUPAC name of copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine (CID 139206344) is copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine.
What is the SMILES notation for copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine?
The canonical SMILES for copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine is CC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.CC(C)c1cc(C(=O)[O-])c(O)c(C(C)C)c1.[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine?
The InChIKey is CKDTXXXLEPOBAR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H18O3.C10H8N2.Cu/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*5-8,14H,1-4H3,(H,15,16);1-8H;/q;;;+2/p-2.
What are the key properties of copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine?
copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine has a molecular weight of 662.29 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139206344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).