ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate

C12H13NO3S — CID 19843279

IUPACethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc(C)sc2c1=O
InChIInChI=1S/C12H13NO3S/c1-4-16-12(15)8-6-13(3)9-5-7(2)17-11(9)10(8)14/h5-6H,4H2,1-3H3
InChIKeyRHCVDKJHOCJJRB-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.09
Rot. Bonds2

About ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate

ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 19843279) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
PubChem CID19843279
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Nameethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn(C)c2cc(C)sc2c1=O
InChIInChI=1S/C12H13NO3S/c1-4-16-12(15)8-6-13(3)9-5-7(2)17-11(9)10(8)14/h5-6H,4H2,1-3H3
InChIKeyRHCVDKJHOCJJRB-UHFFFAOYSA-N
XLogP2.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride
CID 142265544
ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917
ethyl 3-bromo-4-ethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 14913285
ethyl 6-(1-hydroxyethyl)-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
CID 58386857
ethyl 2-ethyl-5-methylthiophene-3-carboxylate
CID 134970605
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
CID 83983597
ethyl 8-fluoro-6-iodo-1-methyl-4-oxoquinoline-3-carboxylate
CID 21192608
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
CID 155060092
diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate
CID 622237
ethyl 1-ethyl-7-(2-methyl-1,3-thiazol-5-yl)-4-oxoquinoline-3-carboxylate
CID 10088750

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate (CID 19843279) is ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1cn(C)c2cc(C)sc2c1=O.
What is the InChIKey of ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is RHCVDKJHOCJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-4-16-12(15)8-6-13(3)9-5-7(2)17-11(9)10(8)14/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate?
ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 19843279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).