copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate

C12H8CuN2O6 — CID 139078128

IUPACcopper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate
SMILESO.O=C([O-])c1cccc(Oc2cccc(C(=O)[O-])n2)n1.[Cu+2]
InChIInChI=1S/C12H8N2O5.Cu.H2O/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18;;/h1-6H,(H,15,16)(H,17,18);;1H2/q;+2;/p-2
InChIKeyUELAGQIUPQGQQF-UHFFFAOYSA-L
MW339.75 g/mol
LogP-1.83
Rot. Bonds4

About copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate

copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate (PubChem CID 139078128) has the molecular formula C12H8CuN2O6 and a molecular weight of 339.75 g/mol. Its IUPAC name is copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate.

Molecular Properties

Compound Namecopper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate
PubChem CID139078128
Molecular FormulaC12H8CuN2O6
Molecular Weight339.75 g/mol
Exact Mass338.97
IUPAC Namecopper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate
SMILESO.O=C([O-])c1cccc(Oc2cccc(C(=O)[O-])n2)n1.[Cu+2]
InChIInChI=1S/C12H8N2O5.Cu.H2O/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18;;/h1-6H,(H,15,16)(H,17,18);;1H2/q;+2;/p-2
InChIKeyUELAGQIUPQGQQF-UHFFFAOYSA-L
XLogP-1.83
TPSA146.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate?
The IUPAC name of copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate (CID 139078128) is copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate.
What is the SMILES notation for copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate?
The canonical SMILES for copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate is O.O=C([O-])c1cccc(Oc2cccc(C(=O)[O-])n2)n1.[Cu+2].
What is the InChIKey of copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate?
The InChIKey is UELAGQIUPQGQQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O5.Cu.H2O/c15-11(16)7-3-1-5-9(13-7)19-10-6-2-4-8(14-10)12(17)18;;/h1-6H,(H,15,16)(H,17,18);;1H2/q;+2;/p-2.
What are the key properties of copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate?
copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate has a molecular weight of 339.75 g/mol, XLogP of -1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;6-[(6-carboxylato-2-pyridinyl)oxy]pyridine-2-carboxylate;hydrate is sourced from PubChem (CID 139078128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).