copper;bis(4-hydroxybenzoate);bis(pyridine)

C24H20CuN2O6 — CID 139081488

IUPACcopper;bis(4-hydroxybenzoate);bis(pyridine)
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H6O3.2C5H5N.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h2*1-4,8H,(H,9,10);2*1-5H;/q;;;;+2/p-2
InChIKeyQEPHHOXKYAWTIS-UHFFFAOYSA-L
MW495.98 g/mol
LogP1.67
Rot. Bonds2

About copper;bis(4-hydroxybenzoate);bis(pyridine)

copper;bis(4-hydroxybenzoate);bis(pyridine) (PubChem CID 139081488) has the molecular formula C24H20CuN2O6 and a molecular weight of 495.98 g/mol. Its IUPAC name is copper;bis(4-hydroxybenzoate);bis(pyridine).

Molecular Properties

Compound Namecopper;bis(4-hydroxybenzoate);bis(pyridine)
PubChem CID139081488
Molecular FormulaC24H20CuN2O6
Molecular Weight495.98 g/mol
Exact Mass495.06
IUPAC Namecopper;bis(4-hydroxybenzoate);bis(pyridine)
SMILESO=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H6O3.2C5H5N.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h2*1-4,8H,(H,9,10);2*1-5H;/q;;;;+2/p-2
InChIKeyQEPHHOXKYAWTIS-UHFFFAOYSA-L
XLogP1.67
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.98
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
CA standard inhibitor, 2
CID 19564789
(E)-1-[2,4-dihydroxy-5-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 56968155
6-Hydroxy-2-pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one
CID 15072949
(2E)-6-hydroxy-2-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 52865898
(E)-1-(4-hydroxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 16380269
CA standard inhibitor, 4
CID 131635675
CA standard inhibitor, 11
CID 131635681
3-(4-Hydroxybenzoyl)pyridine
CID 3015820
4-Hydroxyphenyl 4-pyridyl ketone
CID 3084970
CA standard inhibitor, 3
CID 131635674
CA standard inhibitor, 6
CID 131635676

Frequently Asked Questions

What is the IUPAC name of copper;bis(4-hydroxybenzoate);bis(pyridine)?
The IUPAC name of copper;bis(4-hydroxybenzoate);bis(pyridine) (CID 139081488) is copper;bis(4-hydroxybenzoate);bis(pyridine).
What is the SMILES notation for copper;bis(4-hydroxybenzoate);bis(pyridine)?
The canonical SMILES for copper;bis(4-hydroxybenzoate);bis(pyridine) is O=C([O-])c1ccc(O)cc1.O=C([O-])c1ccc(O)cc1.[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of copper;bis(4-hydroxybenzoate);bis(pyridine)?
The InChIKey is QEPHHOXKYAWTIS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.2C5H5N.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h2*1-4,8H,(H,9,10);2*1-5H;/q;;;;+2/p-2.
What are the key properties of copper;bis(4-hydroxybenzoate);bis(pyridine)?
copper;bis(4-hydroxybenzoate);bis(pyridine) has a molecular weight of 495.98 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(4-hydroxybenzoate);bis(pyridine) is sourced from PubChem (CID 139081488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).