copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)

C14H12CuN2O6 — CID 134096987

IUPACcopper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
SMILESO=C(O)C([O-])c1ccccn1.O=C(O)C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C7H6NO3.Cu/c2*9-6(7(10)11)5-3-1-2-4-8-5;/h2*1-4,6H,(H,10,11);/q2*-1;+2
InChIKeyWHQXQYXDRMZVCJ-UHFFFAOYSA-N
MW367.80 g/mol
LogP-0.87
Rot. Bonds4

About copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)

copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate) (PubChem CID 134096987) has the molecular formula C14H12CuN2O6 and a molecular weight of 367.80 g/mol. Its IUPAC name is copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate).

Molecular Properties

Compound Namecopper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
PubChem CID134096987
Molecular FormulaC14H12CuN2O6
Molecular Weight367.80 g/mol
Exact Mass367.00
IUPAC Namecopper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
SMILESO=C(O)C([O-])c1ccccn1.O=C(O)C([O-])c1ccccn1.[Cu+2]
InChIInChI=1S/2C7H6NO3.Cu/c2*9-6(7(10)11)5-3-1-2-4-8-5;/h2*1-4,6H,(H,10,11);/q2*-1;+2
InChIKeyWHQXQYXDRMZVCJ-UHFFFAOYSA-N
XLogP-0.87
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-pyridin-2-ylbutanedioic acid
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2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388

Frequently Asked Questions

What is the IUPAC name of copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)?
The IUPAC name of copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate) (CID 134096987) is copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate).
What is the SMILES notation for copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)?
The canonical SMILES for copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate) is O=C(O)C([O-])c1ccccn1.O=C(O)C([O-])c1ccccn1.[Cu+2].
What is the InChIKey of copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)?
The InChIKey is WHQXQYXDRMZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6NO3.Cu/c2*9-6(7(10)11)5-3-1-2-4-8-5;/h2*1-4,6H,(H,10,11);/q2*-1;+2.
What are the key properties of copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)?
copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate) has a molecular weight of 367.80 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate) is sourced from PubChem (CID 134096987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).