methyl 6-trimethylstannylpyrazine-2-carboxylate

C9H14N2O2Sn — CID 11255058

IUPACmethyl 6-trimethylstannylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc([Sn](C)(C)C)n1
InChIInChI=1S/C6H5N2O2.3CH3.Sn/c1-10-6(9)5-4-7-2-3-8-5;;;;/h2,4H,1H3;3*1H3;
InChIKeyOFCCFUDFLRXZFU-UHFFFAOYSA-N
MW300.93 g/mol
LogP0.81
Rot. Bonds2

About methyl 6-trimethylstannylpyrazine-2-carboxylate

methyl 6-trimethylstannylpyrazine-2-carboxylate (PubChem CID 11255058) has the molecular formula C9H14N2O2Sn and a molecular weight of 300.93 g/mol. Its IUPAC name is methyl 6-trimethylstannylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-trimethylstannylpyrazine-2-carboxylate
PubChem CID11255058
Molecular FormulaC9H14N2O2Sn
Molecular Weight300.93 g/mol
Exact Mass302.01
IUPAC Namemethyl 6-trimethylstannylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc([Sn](C)(C)C)n1
InChIInChI=1S/C6H5N2O2.3CH3.Sn/c1-10-6(9)5-4-7-2-3-8-5;;;;/h2,4H,1H3;3*1H3;
InChIKeyOFCCFUDFLRXZFU-UHFFFAOYSA-N
XLogP0.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.93
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-trimethylstannylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-trimethylstannylpyrazine-2-carboxylate (CID 11255058) is methyl 6-trimethylstannylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-trimethylstannylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-trimethylstannylpyrazine-2-carboxylate is COC(=O)c1cncc([Sn](C)(C)C)n1.
What is the InChIKey of methyl 6-trimethylstannylpyrazine-2-carboxylate?
The InChIKey is OFCCFUDFLRXZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2.3CH3.Sn/c1-10-6(9)5-4-7-2-3-8-5;;;;/h2,4H,1H3;3*1H3;.
What are the key properties of methyl 6-trimethylstannylpyrazine-2-carboxylate?
methyl 6-trimethylstannylpyrazine-2-carboxylate has a molecular weight of 300.93 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-trimethylstannylpyrazine-2-carboxylate is sourced from PubChem (CID 11255058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).