copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate

C26H24CuN2O7 — CID 139080745

IUPACcopper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
SMILESCOc1cccc(C(=O)[O-])c1.COc1cccc(C(=O)[O-])c1.O.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H8O3.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-3-6(5-7)8(9)10;;/h1-8H;2*2-5H,1H3,(H,9,10);;1H2/q;;;+2;/p-2
InChIKeyFMVNCDRVMMPJQM-UHFFFAOYSA-L
MW540.03 g/mol
LogP1.43
Rot. Bonds5

About copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate

copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate (PubChem CID 139080745) has the molecular formula C26H24CuN2O7 and a molecular weight of 540.03 g/mol. Its IUPAC name is copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate.

Molecular Properties

Compound Namecopper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
PubChem CID139080745
Molecular FormulaC26H24CuN2O7
Molecular Weight540.03 g/mol
Exact Mass539.09
IUPAC Namecopper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
SMILESCOc1cccc(C(=O)[O-])c1.COc1cccc(C(=O)[O-])c1.O.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C8H8O3.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-3-6(5-7)8(9)10;;/h1-8H;2*2-5H,1H3,(H,9,10);;1H2/q;;;+2;/p-2
InChIKeyFMVNCDRVMMPJQM-UHFFFAOYSA-L
XLogP1.43
TPSA156.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.03
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate?
The IUPAC name of copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate (CID 139080745) is copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate.
What is the SMILES notation for copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate?
The canonical SMILES for copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate is COc1cccc(C(=O)[O-])c1.COc1cccc(C(=O)[O-])c1.O.[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate?
The InChIKey is FMVNCDRVMMPJQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C8H8O3.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-11-7-4-2-3-6(5-7)8(9)10;;/h1-8H;2*2-5H,1H3,(H,9,10);;1H2/q;;;+2;/p-2.
What are the key properties of copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate?
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate has a molecular weight of 540.03 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate is sourced from PubChem (CID 139080745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).