methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate

C12H11NO2S — CID 2795949

IUPACmethyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C12H11NO2S/c1-8-9(12(14)15-2)5-6-10(13-8)11-4-3-7-16-11/h3-7H,1-2H3
InChIKeyPXOOFKKNKVAIPU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate

methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate (PubChem CID 2795949) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
PubChem CID2795949
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C12H11NO2S/c1-8-9(12(14)15-2)5-6-10(13-8)11-4-3-7-16-11/h3-7H,1-2H3
InChIKeyPXOOFKKNKVAIPU-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate (CID 2795949) is methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate is COC(=O)c1ccc(-c2cccs2)nc1C.
What is the InChIKey of methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate?
The InChIKey is PXOOFKKNKVAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-9(12(14)15-2)5-6-10(13-8)11-4-3-7-16-11/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate?
methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 2795949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).