ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate

C19H17NO5S — CID 2421275

IUPACethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3cc(OC)ccc3O)cc2c1C
InChIInChI=1S/C19H17NO5S/c1-4-25-19(23)17-10(2)13-7-11(9-20-18(13)26-17)16(22)14-8-12(24-3)5-6-15(14)21/h5-9,21H,4H2,1-3H3
InChIKeyXIMUJQFYZOJLPB-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.73
Rot. Bonds5

About ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate

ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2421275) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID2421275
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Nameethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3cc(OC)ccc3O)cc2c1C
InChIInChI=1S/C19H17NO5S/c1-4-25-19(23)17-10(2)13-7-11(9-20-18(13)26-17)16(22)14-8-12(24-3)5-6-15(14)21/h5-9,21H,4H2,1-3H3
InChIKeyXIMUJQFYZOJLPB-UHFFFAOYSA-N
XLogP3.73
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (CID 2421275) is ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2ncc(C(=O)c3cc(OC)ccc3O)cc2c1C.
What is the InChIKey of ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is XIMUJQFYZOJLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-4-25-19(23)17-10(2)13-7-11(9-20-18(13)26-17)16(22)14-8-12(24-3)5-6-15(14)21/h5-9,21H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxy-5-methoxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2421275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).