tributylstannyl pyridine-3-carboxylate

C18H31NO2Sn — CID 16684183

IUPACtributylstannyl pyridine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1cccnc1
InChIInChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyRXWDMDWQNOJWJY-UHFFFAOYSA-M
MW412.16 g/mol
LogP5.58
Rot. Bonds11

About tributylstannyl pyridine-3-carboxylate

tributylstannyl pyridine-3-carboxylate (PubChem CID 16684183) has the molecular formula C18H31NO2Sn and a molecular weight of 412.16 g/mol. Its IUPAC name is tributylstannyl pyridine-3-carboxylate.

Molecular Properties

Compound Nametributylstannyl pyridine-3-carboxylate
PubChem CID16684183
Molecular FormulaC18H31NO2Sn
Molecular Weight412.16 g/mol
Exact Mass413.14
IUPAC Nametributylstannyl pyridine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1cccnc1
InChIInChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyRXWDMDWQNOJWJY-UHFFFAOYSA-M
XLogP5.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.16
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
6-Chloronicotinic acid
CID 79222
Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2-Chloronicotinic acid
CID 76258
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Oxiniacic Acid
CID 16976
Nicametate
CID 71650
Nicotinate
CID 937
Hexyl nicotinate
CID 90202

Frequently Asked Questions

What is the IUPAC name of tributylstannyl pyridine-3-carboxylate?
The IUPAC name of tributylstannyl pyridine-3-carboxylate (CID 16684183) is tributylstannyl pyridine-3-carboxylate.
What is the SMILES notation for tributylstannyl pyridine-3-carboxylate?
The canonical SMILES for tributylstannyl pyridine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)OC(=O)c1cccnc1.
What is the InChIKey of tributylstannyl pyridine-3-carboxylate?
The InChIKey is RXWDMDWQNOJWJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl pyridine-3-carboxylate?
tributylstannyl pyridine-3-carboxylate has a molecular weight of 412.16 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl pyridine-3-carboxylate is sourced from PubChem (CID 16684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).