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

C18H15NO4S — CID 2456142

IUPACethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3ccccc3O)cc2c1C
InChIInChI=1S/C18H15NO4S/c1-3-23-18(22)16-10(2)13-8-11(9-19-17(13)24-16)15(21)12-6-4-5-7-14(12)20/h4-9,20H,3H2,1-2H3
InChIKeySJODOZIEEQIKDQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.72
Rot. Bonds4

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

ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2456142) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID2456142
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Nameethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2ncc(C(=O)c3ccccc3O)cc2c1C
InChIInChI=1S/C18H15NO4S/c1-3-23-18(22)16-10(2)13-8-11(9-19-17(13)24-16)15(21)12-6-4-5-7-14(12)20/h4-9,20H,3H2,1-2H3
InChIKeySJODOZIEEQIKDQ-UHFFFAOYSA-N
XLogP3.72
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate (CID 2456142) is ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2ncc(C(=O)c3ccccc3O)cc2c1C.
What is the InChIKey of ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SJODOZIEEQIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-3-23-18(22)16-10(2)13-8-11(9-19-17(13)24-16)15(21)12-6-4-5-7-14(12)20/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxybenzoyl)-3-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2456142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).