bis(pyridine-2,6-dicarboxylic acid);zinc

C14H10N2O8Zn — CID 4309911

IUPACbis(pyridine-2,6-dicarboxylic acid);zinc
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Zn]
InChIInChI=1S/2C7H5NO4.Zn/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;/h2*1-3H,(H,9,10)(H,11,12);
InChIKeyNKQJACUSMKXTKC-UHFFFAOYSA-N
MW399.63 g/mol
LogP0.95
Rot. Bonds4

About bis(pyridine-2,6-dicarboxylic acid);zinc

bis(pyridine-2,6-dicarboxylic acid);zinc (PubChem CID 4309911) has the molecular formula C14H10N2O8Zn and a molecular weight of 399.63 g/mol. Its IUPAC name is bis(pyridine-2,6-dicarboxylic acid);zinc.

Molecular Properties

Compound Namebis(pyridine-2,6-dicarboxylic acid);zinc
PubChem CID4309911
Molecular FormulaC14H10N2O8Zn
Molecular Weight399.63 g/mol
Exact Mass397.97
IUPAC Namebis(pyridine-2,6-dicarboxylic acid);zinc
SMILESO=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Zn]
InChIInChI=1S/2C7H5NO4.Zn/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;/h2*1-3H,(H,9,10)(H,11,12);
InChIKeyNKQJACUSMKXTKC-UHFFFAOYSA-N
XLogP0.95
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine-2,6-dicarboxylic acid);zinc?
The IUPAC name of bis(pyridine-2,6-dicarboxylic acid);zinc (CID 4309911) is bis(pyridine-2,6-dicarboxylic acid);zinc.
What is the SMILES notation for bis(pyridine-2,6-dicarboxylic acid);zinc?
The canonical SMILES for bis(pyridine-2,6-dicarboxylic acid);zinc is O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Zn].
What is the InChIKey of bis(pyridine-2,6-dicarboxylic acid);zinc?
The InChIKey is NKQJACUSMKXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO4.Zn/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;/h2*1-3H,(H,9,10)(H,11,12);.
What are the key properties of bis(pyridine-2,6-dicarboxylic acid);zinc?
bis(pyridine-2,6-dicarboxylic acid);zinc has a molecular weight of 399.63 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine-2,6-dicarboxylic acid);zinc is sourced from PubChem (CID 4309911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).