4-chloropyridine-2,3-dicarboxylic acid;zinc

C7H4ClNO4Zn — CID 156700438

IUPAC4-chloropyridine-2,3-dicarboxylic acid;zinc
SMILESO=C(O)c1nccc(Cl)c1C(=O)O.[Zn]
InChIInChI=1S/C7H4ClNO4.Zn/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);
InChIKeyRHPDCVQVIRKSCR-UHFFFAOYSA-N
MW266.95 g/mol
LogP1.13
Rot. Bonds2

About 4-chloropyridine-2,3-dicarboxylic acid;zinc

4-chloropyridine-2,3-dicarboxylic acid;zinc (PubChem CID 156700438) has the molecular formula C7H4ClNO4Zn and a molecular weight of 266.95 g/mol. Its IUPAC name is 4-chloropyridine-2,3-dicarboxylic acid;zinc.

Molecular Properties

Compound Name4-chloropyridine-2,3-dicarboxylic acid;zinc
PubChem CID156700438
Molecular FormulaC7H4ClNO4Zn
Molecular Weight266.95 g/mol
Exact Mass264.91
IUPAC Name4-chloropyridine-2,3-dicarboxylic acid;zinc
SMILESO=C(O)c1nccc(Cl)c1C(=O)O.[Zn]
InChIInChI=1S/C7H4ClNO4.Zn/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);
InChIKeyRHPDCVQVIRKSCR-UHFFFAOYSA-N
XLogP1.13
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.95
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-chloropyridine-2,3-dicarboxylic acid;zinc with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2,3-dicarboxylic acid;zinc?
The IUPAC name of 4-chloropyridine-2,3-dicarboxylic acid;zinc (CID 156700438) is 4-chloropyridine-2,3-dicarboxylic acid;zinc.
What is the SMILES notation for 4-chloropyridine-2,3-dicarboxylic acid;zinc?
The canonical SMILES for 4-chloropyridine-2,3-dicarboxylic acid;zinc is O=C(O)c1nccc(Cl)c1C(=O)O.[Zn].
What is the InChIKey of 4-chloropyridine-2,3-dicarboxylic acid;zinc?
The InChIKey is RHPDCVQVIRKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4.Zn/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);.
What are the key properties of 4-chloropyridine-2,3-dicarboxylic acid;zinc?
4-chloropyridine-2,3-dicarboxylic acid;zinc has a molecular weight of 266.95 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2,3-dicarboxylic acid;zinc is sourced from PubChem (CID 156700438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).