copper;bis(5-butylpyridine-2-carboxylate);methanol

C22H32CuN2O6 — CID 139058691

IUPACcopper;bis(5-butylpyridine-2-carboxylate);methanol
SMILESCCCCc1ccc(C(=O)[O-])nc1.CCCCc1ccc(C(=O)[O-])nc1.CO.CO.[Cu+2]
InChIInChI=1S/2C10H13NO2.2CH4O.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;2*1-2;/h2*5-7H,2-4H2,1H3,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyYZCQOZOLBFPMTF-UHFFFAOYSA-L
MW484.05 g/mol
LogP0.79
Rot. Bonds8

About copper;bis(5-butylpyridine-2-carboxylate);methanol

copper;bis(5-butylpyridine-2-carboxylate);methanol (PubChem CID 139058691) has the molecular formula C22H32CuN2O6 and a molecular weight of 484.05 g/mol. Its IUPAC name is copper;bis(5-butylpyridine-2-carboxylate);methanol.

Molecular Properties

Compound Namecopper;bis(5-butylpyridine-2-carboxylate);methanol
PubChem CID139058691
Molecular FormulaC22H32CuN2O6
Molecular Weight484.05 g/mol
Exact Mass483.16
IUPAC Namecopper;bis(5-butylpyridine-2-carboxylate);methanol
SMILESCCCCc1ccc(C(=O)[O-])nc1.CCCCc1ccc(C(=O)[O-])nc1.CO.CO.[Cu+2]
InChIInChI=1S/2C10H13NO2.2CH4O.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;2*1-2;/h2*5-7H,2-4H2,1H3,(H,12,13);2*2H,1H3;/q;;;;+2/p-2
InChIKeyYZCQOZOLBFPMTF-UHFFFAOYSA-L
XLogP0.79
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;bis(5-butylpyridine-2-carboxylate);methanol?
The IUPAC name of copper;bis(5-butylpyridine-2-carboxylate);methanol (CID 139058691) is copper;bis(5-butylpyridine-2-carboxylate);methanol.
What is the SMILES notation for copper;bis(5-butylpyridine-2-carboxylate);methanol?
The canonical SMILES for copper;bis(5-butylpyridine-2-carboxylate);methanol is CCCCc1ccc(C(=O)[O-])nc1.CCCCc1ccc(C(=O)[O-])nc1.CO.CO.[Cu+2].
What is the InChIKey of copper;bis(5-butylpyridine-2-carboxylate);methanol?
The InChIKey is YZCQOZOLBFPMTF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H13NO2.2CH4O.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;2*1-2;/h2*5-7H,2-4H2,1H3,(H,12,13);2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of copper;bis(5-butylpyridine-2-carboxylate);methanol?
copper;bis(5-butylpyridine-2-carboxylate);methanol has a molecular weight of 484.05 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(5-butylpyridine-2-carboxylate);methanol is sourced from PubChem (CID 139058691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).