Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate

Name: Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₀CuN₂O₉ — CID 139057597

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

IUPACcopper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate

SMILESO.O=C(O)c1cccc(C(=O)O)n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2]

InChIInChI=1S/2C7H5NO4.Cu.H2O/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;;/h2*1-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2

InChIKeyJBSJSGGSJMGLTA-UHFFFAOYSA-L

MW413.79 g/mol

LogP-2.54

Rot. Bonds4

About Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate

Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate (PubChem CID 139057597) has the molecular formula C₁₄H₁₀CuN₂O₉ and a molecular weight of 413.79 g/mol. Its IUPAC name is copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate.

Molecular Properties

Compound Name	Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate
PubChem CID	139057597
Molecular Formula	C₁₄H₁₀CuN₂O₉
Molecular Weight	413.79 g/mol
Exact Mass	412.97
IUPAC Name	copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate
SMILES	O.O=C(O)c1cccc(C(=O)O)n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2]
InChI	InChI=1S/2C7H5NO4.Cu.H2O/c29-6(10)4-2-1-3-5(8-4)7(11)12;;/h21-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2
InChIKey	JBSJSGGSJMGLTA-UHFFFAOYSA-L
XLogP	-2.54
TPSA	212.14 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.79
LogP ≤ 5	-2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate?

The IUPAC name of Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate (CID 139057597) is copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate.

What is the SMILES notation for Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate?

The canonical SMILES for Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate is O.O=C(O)c1cccc(C(=O)O)n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2].

What is the InChIKey of Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate?

The InChIKey is JBSJSGGSJMGLTA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO4.Cu.H2O/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;;/h2*1-3H,(H,9,10)(H,11,12);;1H2/q;;+2;/p-2.

What are the key properties of Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate?

Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate has a molecular weight of 413.79 g/mol, XLogP of -2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate is sourced from PubChem (CID 139057597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139057597 — identifiers, structure, computed properties (public domain)

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