copper;pyridine;bis(quinolin-8-olate);hydrate

C23H19CuN3O3 — CID 139061955

IUPACcopper;pyridine;bis(quinolin-8-olate);hydrate
SMILESO.[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccncc1
InChIInChI=1S/2C9H7NO.C5H5N.Cu.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-6-5-3-1;;/h2*1-6,11H;1-5H;;1H2/q;;;+2;/p-2
InChIKeyMMHANZVJVTYJGC-UHFFFAOYSA-L
MW448.97 g/mol
LogP2.87
Rot. Bonds

About copper;pyridine;bis(quinolin-8-olate);hydrate

copper;pyridine;bis(quinolin-8-olate);hydrate (PubChem CID 139061955) has the molecular formula C23H19CuN3O3 and a molecular weight of 448.97 g/mol. Its IUPAC name is copper;pyridine;bis(quinolin-8-olate);hydrate.

Molecular Properties

Compound Namecopper;pyridine;bis(quinolin-8-olate);hydrate
PubChem CID139061955
Molecular FormulaC23H19CuN3O3
Molecular Weight448.97 g/mol
Exact Mass448.07
IUPAC Namecopper;pyridine;bis(quinolin-8-olate);hydrate
SMILESO.[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccncc1
InChIInChI=1S/2C9H7NO.C5H5N.Cu.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-6-5-3-1;;/h2*1-6,11H;1-5H;;1H2/q;;;+2;/p-2
InChIKeyMMHANZVJVTYJGC-UHFFFAOYSA-L
XLogP2.87
TPSA116.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of copper;pyridine;bis(quinolin-8-olate);hydrate?
The IUPAC name of copper;pyridine;bis(quinolin-8-olate);hydrate (CID 139061955) is copper;pyridine;bis(quinolin-8-olate);hydrate.
What is the SMILES notation for copper;pyridine;bis(quinolin-8-olate);hydrate?
The canonical SMILES for copper;pyridine;bis(quinolin-8-olate);hydrate is O.[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccncc1.
What is the InChIKey of copper;pyridine;bis(quinolin-8-olate);hydrate?
The InChIKey is MMHANZVJVTYJGC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.C5H5N.Cu.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-6-5-3-1;;/h2*1-6,11H;1-5H;;1H2/q;;;+2;/p-2.
What are the key properties of copper;pyridine;bis(quinolin-8-olate);hydrate?
copper;pyridine;bis(quinolin-8-olate);hydrate has a molecular weight of 448.97 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;pyridine;bis(quinolin-8-olate);hydrate is sourced from PubChem (CID 139061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).