ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate

C12H13NO2S — CID 140979555

IUPACethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)c(C)c2c1
InChIInChI=1S/C12H13NO2S/c1-4-15-12(14)9-5-10-7(2)8(3)16-11(10)13-6-9/h5-6H,4H2,1-3H3
InChIKeyWWDGZLPNJGFXDJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.09
Rot. Bonds2

About ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate

ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 140979555) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID140979555
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Nameethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)c(C)c2c1
InChIInChI=1S/C12H13NO2S/c1-4-15-12(14)9-5-10-7(2)8(3)16-11(10)13-6-9/h5-6H,4H2,1-3H3
InChIKeyWWDGZLPNJGFXDJ-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129276355
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
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ethyl 6-amino-5-iodopyridine-3-carboxylate
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ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
CID 68663627
ethyl 5-(3,5-dichloro-2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
CID 2095794
ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 86681077
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 2-methyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate;heptane
CID 142605352

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate (CID 140979555) is ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2sc(C)c(C)c2c1.
What is the InChIKey of ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is WWDGZLPNJGFXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-4-15-12(14)9-5-10-7(2)8(3)16-11(10)13-6-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 235.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 140979555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).