copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)

C26H24CuN2O8 — CID 139053329

IUPACcopper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.OCc1cccnc1.OCc1cccnc1.[Cu+2]
InChIInChI=1S/2C7H6O3.2C6H7NO.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*8-5-6-2-1-3-7-4-6;/h2*1-4,8H,(H,9,10);2*1-4,8H,5H2;/q;;;;+2/p-2
InChIKeyABRJTHCZKGZRHR-UHFFFAOYSA-L
MW556.03 g/mol
LogP0.66
Rot. Bonds4

About copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)

copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol) (PubChem CID 139053329) has the molecular formula C26H24CuN2O8 and a molecular weight of 556.03 g/mol. Its IUPAC name is copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol).

Molecular Properties

Compound Namecopper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)
PubChem CID139053329
Molecular FormulaC26H24CuN2O8
Molecular Weight556.03 g/mol
Exact Mass555.08
IUPAC Namecopper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.OCc1cccnc1.OCc1cccnc1.[Cu+2]
InChIInChI=1S/2C7H6O3.2C6H7NO.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*8-5-6-2-1-3-7-4-6;/h2*1-4,8H,(H,9,10);2*1-4,8H,5H2;/q;;;;+2/p-2
InChIKeyABRJTHCZKGZRHR-UHFFFAOYSA-L
XLogP0.66
TPSA186.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.03
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)?
The IUPAC name of copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol) (CID 139053329) is copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol).
What is the SMILES notation for copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)?
The canonical SMILES for copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol) is O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.OCc1cccnc1.OCc1cccnc1.[Cu+2].
What is the InChIKey of copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)?
The InChIKey is ABRJTHCZKGZRHR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.2C6H7NO.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;2*8-5-6-2-1-3-7-4-6;/h2*1-4,8H,(H,9,10);2*1-4,8H,5H2;/q;;;;+2/p-2.
What are the key properties of copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol)?
copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol) has a molecular weight of 556.03 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-hydroxybenzoate);bis(pyridin-3-ylmethanol) is sourced from PubChem (CID 139053329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).