dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate

C21H35NO4Sn — CID 71408098

IUPACdimethyl 3-tributylstannylpyridine-2,6-dicarboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OC)nc1C(=O)OC
InChIInChI=1S/C9H8NO4.3C4H9.Sn/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2;3*1-3-4-2;/h3-4H,1-2H3;3*1,3-4H2,2H3;
InChIKeyHJAYPQXMNDHWPQ-UHFFFAOYSA-N
MW484.23 g/mol
LogP4.71
Rot. Bonds12

About dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate

dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate (PubChem CID 71408098) has the molecular formula C21H35NO4Sn and a molecular weight of 484.23 g/mol. Its IUPAC name is dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-tributylstannylpyridine-2,6-dicarboxylate
PubChem CID71408098
Molecular FormulaC21H35NO4Sn
Molecular Weight484.23 g/mol
Exact Mass485.16
IUPAC Namedimethyl 3-tributylstannylpyridine-2,6-dicarboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OC)nc1C(=O)OC
InChIInChI=1S/C9H8NO4.3C4H9.Sn/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2;3*1-3-4-2;/h3-4H,1-2H3;3*1,3-4H2,2H3;
InChIKeyHJAYPQXMNDHWPQ-UHFFFAOYSA-N
XLogP4.71
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.23
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate (CID 71408098) is dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate is CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OC)nc1C(=O)OC.
What is the InChIKey of dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate?
The InChIKey is HJAYPQXMNDHWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO4.3C4H9.Sn/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2;3*1-3-4-2;/h3-4H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate?
dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate has a molecular weight of 484.23 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-tributylstannylpyridine-2,6-dicarboxylate is sourced from PubChem (CID 71408098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).