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

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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).