copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine

C25H32CuN2O5 — CID 139142709

IUPACcopper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine
SMILESCC(C)c1cc(C(=O)[O-])c([O-])c(C(C)C)c1.CO.CO.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H18O3.C10H8N2.2CH4O.Cu/c1-7(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;2*1-2;/h5-8,14H,1-4H3,(H,15,16);1-8H;2*2H,1H3;/q;;;;+2/p-2
InChIKeyOWJJRABIDMKPLT-UHFFFAOYSA-L
MW504.09 g/mol
LogP2.73
Rot. Bonds4

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

copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine (PubChem CID 139142709) has the molecular formula C25H32CuN2O5 and a molecular weight of 504.09 g/mol. Its IUPAC name is copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecopper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine
PubChem CID139142709
Molecular FormulaC25H32CuN2O5
Molecular Weight504.09 g/mol
Exact Mass503.16
IUPAC Namecopper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine
SMILESCC(C)c1cc(C(=O)[O-])c([O-])c(C(C)C)c1.CO.CO.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H18O3.C10H8N2.2CH4O.Cu/c1-7(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;2*1-2;/h5-8,14H,1-4H3,(H,15,16);1-8H;2*2H,1H3;/q;;;;+2/p-2
InChIKeyOWJJRABIDMKPLT-UHFFFAOYSA-L
XLogP2.73
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.09
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine?
The IUPAC name of copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine (CID 139142709) is copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine.
What is the SMILES notation for copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine?
The canonical SMILES for copper;methanol;2-oxido-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.CO.CO.[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine?
The InChIKey is OWJJRABIDMKPLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H18O3.C10H8N2.2CH4O.Cu/c1-7(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;2*1-2;/h5-8,14H,1-4H3,(H,15,16);1-8H;2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine?
copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine has a molecular weight of 504.09 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139142709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).