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

C20H14FNO4S — CID 52995579

IUPAC3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2cccc(O)c2)c2sc(C(=O)O)c(-c3cccc(F)c3)c2N1
InChIInChI=1S/C20H14FNO4S/c21-12-5-1-4-11(7-12)16-17-18(27-19(16)20(25)26)14(9-15(24)22-17)10-3-2-6-13(23)8-10/h1-8,14,23H,9H2,(H,22,24)(H,25,26)
InChIKeyHDHQBKZUKQBUDK-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.43
Rot. Bonds3

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

3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 52995579) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID52995579
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2cccc(O)c2)c2sc(C(=O)O)c(-c3cccc(F)c3)c2N1
InChIInChI=1S/C20H14FNO4S/c21-12-5-1-4-11(7-12)16-17-18(27-19(16)20(25)26)14(9-15(24)22-17)10-3-2-6-13(23)8-10/h1-8,14,23H,9H2,(H,22,24)(H,25,26)
InChIKeyHDHQBKZUKQBUDK-UHFFFAOYSA-N
XLogP4.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

3,7-bis(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047243
(7R)-7-(3-fluorophenyl)-3-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061075
7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047237
(7S)-7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061432
(7R)-3-(3-fluorophenyl)-5-oxo-7-(3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061485
7-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047215
(7S)-7-(2-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061504
3-(3-fluorophenyl)-7-(1-methylpyrazol-4-yl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 52995954
(7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 26414172
3-(3-fluorophenyl)-7-(4-methoxy-3-propan-2-yloxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047271
(7R)-3-(3-fluorophenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061431
7-(2,4-difluorophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 42647437

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 52995579) is 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is O=C1CC(c2cccc(O)c2)c2sc(C(=O)O)c(-c3cccc(F)c3)c2N1.
What is the InChIKey of 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is HDHQBKZUKQBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c21-12-5-1-4-11(7-12)16-17-18(27-19(16)20(25)26)14(9-15(24)22-17)10-3-2-6-13(23)8-10/h1-8,14,23H,9H2,(H,22,24)(H,25,26).
What are the key properties of 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 383.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 52995579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).