7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid

C16H12ClNO3S — CID 144939795

IUPAC7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO3S/c1-2-11-12-7-8-13(19)18(10-5-3-9(17)4-6-10)15(12)22-14(11)16(20)21/h3-8H,2H2,1H3,(H,20,21)
InChIKeyLOCLXJJCUVYRKZ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.97
Rot. Bonds3

About 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid

7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 144939795) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID144939795
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO3S/c1-2-11-12-7-8-13(19)18(10-5-3-9(17)4-6-10)15(12)22-14(11)16(20)21/h3-8H,2H2,1H3,(H,20,21)
InChIKeyLOCLXJJCUVYRKZ-UHFFFAOYSA-N
XLogP3.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
lithium;3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035347
ethyl 3-(3-chlorophenyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 21084015
lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035344
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67533952
ethyl 3-bromo-7-(4-formylphenyl)-6-oxothieno[2,3-b]pyridine-2-carboxylate
CID 87459693
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-N,N,5-trimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4126541
ethyl 3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 66970889
3-(4-chlorophenyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 3283448
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
3-bromo-2-(3-hydroxyazetidine-1-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 66970636

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid (CID 144939795) is 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid is CCc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LOCLXJJCUVYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-2-11-12-7-8-13(19)18(10-5-3-9(17)4-6-10)15(12)22-14(11)16(20)21/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid?
7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 333.80 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 144939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).