tributylstannyl pyridine-4-carboxylate

C18H31NO2Sn — CID 16683957

IUPACtributylstannyl pyridine-4-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccncc1
InChIInChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyUIMCSZIJWRJQSC-UHFFFAOYSA-M
MW412.16 g/mol
LogP5.58
Rot. Bonds11

About tributylstannyl pyridine-4-carboxylate

tributylstannyl pyridine-4-carboxylate (PubChem CID 16683957) has the molecular formula C18H31NO2Sn and a molecular weight of 412.16 g/mol. Its IUPAC name is tributylstannyl pyridine-4-carboxylate.

Molecular Properties

Compound Nametributylstannyl pyridine-4-carboxylate
PubChem CID16683957
Molecular FormulaC18H31NO2Sn
Molecular Weight412.16 g/mol
Exact Mass413.14
IUPAC Nametributylstannyl pyridine-4-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccncc1
InChIInChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyUIMCSZIJWRJQSC-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

pentyl pyridine-4-carboxylate
CID 531655
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
CID 16688159
methyl pyridine-4-carboxylate;pentanamide
CID 174992063
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
[4-(4-butoxyphenyl)phenyl] pyridine-4-carboxylate
CID 102269960
(4-pentylphenyl) pyridine-4-carboxylate
CID 4683685
1-pyridin-4-ylhexadecan-1-one
CID 102412701
butane;1-pyridin-4-ylethanone
CID 174655632
dichloroplatinum;bis(methyl pyridine-4-carboxylate)
CID 4684281
N-butylpyridine-4-carboxamide
CID 5030535

Frequently Asked Questions

What is the IUPAC name of tributylstannyl pyridine-4-carboxylate?
The IUPAC name of tributylstannyl pyridine-4-carboxylate (CID 16683957) is tributylstannyl pyridine-4-carboxylate.
What is the SMILES notation for tributylstannyl pyridine-4-carboxylate?
The canonical SMILES for tributylstannyl pyridine-4-carboxylate is CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccncc1.
What is the InChIKey of tributylstannyl pyridine-4-carboxylate?
The InChIKey is UIMCSZIJWRJQSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;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-4-carboxylate?
tributylstannyl pyridine-4-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-4-carboxylate is sourced from PubChem (CID 16683957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).