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

C14H10CuN2O9 — CID 139057597

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 Namecopper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate
PubChem CID139057597
Molecular FormulaC14H10CuN2O9
Molecular Weight413.79 g/mol
Exact Mass412.97
IUPAC Namecopper;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
XLogP-2.54
TPSA212.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 5-2.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze copper;pyridine-2,6-dicarboxylate;pyridine-2,6-dicarboxylic acid;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Pyridinedicarboxylic acid
CID 10367
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961
6,6'-(Azanediylbis(methylene))dipicolinic acid
CID 155126357
6-[[Carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101447146
6-[[[(1R)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164617954
6-[[[(1S)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164628260
2,6-Pyridinedicarboxylic acid, monosodium salt
CID 23690073
CU-Pda-pic
CID 133065582
[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
CID 22355148
(SP-4-1)-Bis(2-pyridinecarboxylato-|EN1,|EO2)copper
CID 24182871
6-[[4-[(6-Carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 171715925
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 129269229

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).