7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

C20H15NO4S — CID 16765698

IUPAC7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2ccc(O)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1
InChIInChI=1S/C20H15NO4S/c22-13-8-6-11(7-9-13)14-10-15(23)21-17-16(12-4-2-1-3-5-12)19(20(24)25)26-18(14)17/h1-9,14,22H,10H2,(H,21,23)(H,24,25)
InChIKeyIYCLKKRMAMTEDB-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.29
Rot. Bonds3

About 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 16765698) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID16765698
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2ccc(O)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1
InChIInChI=1S/C20H15NO4S/c22-13-8-6-11(7-9-13)14-10-15(23)21-17-16(12-4-2-1-3-5-12)19(20(24)25)26-18(14)17/h1-9,14,22H,10H2,(H,21,23)(H,24,25)
InChIKeyIYCLKKRMAMTEDB-UHFFFAOYSA-N
XLogP4.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 16765698) is 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is O=C1CC(c2ccc(O)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1.
What is the InChIKey of 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is IYCLKKRMAMTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-13-8-6-11(7-9-13)14-10-15(23)21-17-16(12-4-2-1-3-5-12)19(20(24)25)26-18(14)17/h1-9,14,22H,10H2,(H,21,23)(H,24,25).
What are the key properties of 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 16765698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).