4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid

C17H14ClNO3S — CID 19787178

IUPAC4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)n(C)c2s1
InChIInChI=1S/C17H14ClNO3S/c1-3-9-8-11-13(10-6-4-5-7-12(10)18)14(17(21)22)15(20)19(2)16(11)23-9/h4-8H,3H2,1-2H3,(H,21,22)
InChIKeyJPUXEXXIUHNCBR-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.18
Rot. Bonds3

About 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid

4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 19787178) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID19787178
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)n(C)c2s1
InChIInChI=1S/C17H14ClNO3S/c1-3-9-8-11-13(10-6-4-5-7-12(10)18)14(17(21)22)15(20)19(2)16(11)23-9/h4-8H,3H2,1-2H3,(H,21,22)
InChIKeyJPUXEXXIUHNCBR-UHFFFAOYSA-N
XLogP4.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 19787178) is 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is CCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)n(C)c2s1.
What is the InChIKey of 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is JPUXEXXIUHNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-3-9-8-11-13(10-6-4-5-7-12(10)18)14(17(21)22)15(20)19(2)16(11)23-9/h4-8H,3H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 347.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-ethyl-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19787178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).