triphenylstannyl pyridine-3-carboxylate

C24H19NO2Sn — CID 16696712

IUPACtriphenylstannyl pyridine-3-carboxylate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C6H5NO2.3C6H5.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h1-4H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyHEPFTANXZBLLBH-UHFFFAOYSA-M
MW472.13 g/mol
LogP2.91
Rot. Bonds5

About triphenylstannyl pyridine-3-carboxylate

triphenylstannyl pyridine-3-carboxylate (PubChem CID 16696712) has the molecular formula C24H19NO2Sn and a molecular weight of 472.13 g/mol. Its IUPAC name is triphenylstannyl pyridine-3-carboxylate.

Molecular Properties

Compound Nametriphenylstannyl pyridine-3-carboxylate
PubChem CID16696712
Molecular FormulaC24H19NO2Sn
Molecular Weight472.13 g/mol
Exact Mass473.04
IUPAC Nametriphenylstannyl pyridine-3-carboxylate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C6H5NO2.3C6H5.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h1-4H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyHEPFTANXZBLLBH-UHFFFAOYSA-M
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl pyridine-3-carboxylate?
The IUPAC name of triphenylstannyl pyridine-3-carboxylate (CID 16696712) is triphenylstannyl pyridine-3-carboxylate.
What is the SMILES notation for triphenylstannyl pyridine-3-carboxylate?
The canonical SMILES for triphenylstannyl pyridine-3-carboxylate is O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of triphenylstannyl pyridine-3-carboxylate?
The InChIKey is HEPFTANXZBLLBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.3C6H5.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h1-4H,(H,8,9);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl pyridine-3-carboxylate?
triphenylstannyl pyridine-3-carboxylate has a molecular weight of 472.13 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl pyridine-3-carboxylate is sourced from PubChem (CID 16696712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).