zinc bis(6-hexoxypyridine-2-carboxylate)

C24H32N2O6Zn — CID 67852825

IUPACzinc bis(6-hexoxypyridine-2-carboxylate)
SMILESCCCCCCOc1cccc(C(=O)[O-])n1.CCCCCCOc1cccc(C(=O)[O-])n1.[Zn+2]
InChIInChI=1S/2C12H17NO3.Zn/c2*1-2-3-4-5-9-16-11-8-6-7-10(13-11)12(14)15;/h2*6-8H,2-5,9H2,1H3,(H,14,15);/q;;+2/p-2
InChIKeyVISVZIDUQPTELK-UHFFFAOYSA-L
MW509.92 g/mol
LogP2.81
Rot. Bonds14

About zinc bis(6-hexoxypyridine-2-carboxylate)

zinc bis(6-hexoxypyridine-2-carboxylate) (PubChem CID 67852825) has the molecular formula C24H32N2O6Zn and a molecular weight of 509.92 g/mol. Its IUPAC name is zinc bis(6-hexoxypyridine-2-carboxylate).

Molecular Properties

Compound Namezinc bis(6-hexoxypyridine-2-carboxylate)
PubChem CID67852825
Molecular FormulaC24H32N2O6Zn
Molecular Weight509.92 g/mol
Exact Mass508.16
IUPAC Namezinc bis(6-hexoxypyridine-2-carboxylate)
SMILESCCCCCCOc1cccc(C(=O)[O-])n1.CCCCCCOc1cccc(C(=O)[O-])n1.[Zn+2]
InChIInChI=1S/2C12H17NO3.Zn/c2*1-2-3-4-5-9-16-11-8-6-7-10(13-11)12(14)15;/h2*6-8H,2-5,9H2,1H3,(H,14,15);/q;;+2/p-2
InChIKeyVISVZIDUQPTELK-UHFFFAOYSA-L
XLogP2.81
TPSA124.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.92
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(6-hexoxypyridine-2-carboxylate)?
The IUPAC name of zinc bis(6-hexoxypyridine-2-carboxylate) (CID 67852825) is zinc bis(6-hexoxypyridine-2-carboxylate).
What is the SMILES notation for zinc bis(6-hexoxypyridine-2-carboxylate)?
The canonical SMILES for zinc bis(6-hexoxypyridine-2-carboxylate) is CCCCCCOc1cccc(C(=O)[O-])n1.CCCCCCOc1cccc(C(=O)[O-])n1.[Zn+2].
What is the InChIKey of zinc bis(6-hexoxypyridine-2-carboxylate)?
The InChIKey is VISVZIDUQPTELK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H17NO3.Zn/c2*1-2-3-4-5-9-16-11-8-6-7-10(13-11)12(14)15;/h2*6-8H,2-5,9H2,1H3,(H,14,15);/q;;+2/p-2.
What are the key properties of zinc bis(6-hexoxypyridine-2-carboxylate)?
zinc bis(6-hexoxypyridine-2-carboxylate) has a molecular weight of 509.92 g/mol, XLogP of 2.81, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(6-hexoxypyridine-2-carboxylate) is sourced from PubChem (CID 67852825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).