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

Name: Copper;pyridine;bis(quinolin-8-olate);hydrate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₉CuN₃O₃ — CID 139061955

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Copper;pyridine;bis(quinolin-8-olate);hydrate
PubChem CID	139061955
Molecular Formula	C₂₃H₁₉CuN₃O₃
Molecular Weight	448.97 g/mol
Exact Mass	448.07
IUPAC Name	copper;pyridine;bis(quinolin-8-olate);hydrate
SMILES	O.[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccncc1
InChI	InChI=1S/2C9H7NO.C5H5N.Cu.H2O/c211-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-6-5-3-1;;/h21-6,11H;1-5H;;1H2/q;;;+2;/p-2
InChIKey	MMHANZVJVTYJGC-UHFFFAOYSA-L
XLogP	2.87
TPSA	116.29 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.97
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 139061955 — identifiers, structure, computed properties (public domain)

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