copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid

C13H11CuN2O6+ — CID 133065582

IUPACcopper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.[Cu].[H+]
InChIInChI=1S/C7H5NO4.C6H5NO2.Cu/c9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;/h1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);/p+1
InChIKeyIPXPZVXDAJQWNH-UHFFFAOYSA-O
MW354.79 g/mol
LogP1.37
Rot. Bonds3

About copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid

copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid (PubChem CID 133065582) has the molecular formula C13H11CuN2O6+ and a molecular weight of 354.79 g/mol. Its IUPAC name is copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namecopper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid
PubChem CID133065582
Molecular FormulaC13H11CuN2O6+
Molecular Weight354.79 g/mol
Exact Mass353.99
IUPAC Namecopper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.[Cu].[H+]
InChIInChI=1S/C7H5NO4.C6H5NO2.Cu/c9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;/h1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);/p+1
InChIKeyIPXPZVXDAJQWNH-UHFFFAOYSA-O
XLogP1.37
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid?
The IUPAC name of copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid (CID 133065582) is copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid?
The canonical SMILES for copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.[Cu].[H+].
What is the InChIKey of copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid?
The InChIKey is IPXPZVXDAJQWNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5NO4.C6H5NO2.Cu/c9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-3-1-2-4-7-5;/h1-3H,(H,9,10)(H,11,12);1-4H,(H,8,9);/p+1.
What are the key properties of copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid?
copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid has a molecular weight of 354.79 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hydron;pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 133065582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).