4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid

C16H12ClNO3S — CID 19787194

IUPAC4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)[nH]c2s1
InChIInChI=1S/C16H12ClNO3S/c1-2-8-7-10-12(9-5-3-4-6-11(9)17)13(16(20)21)14(19)18-15(10)22-8/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyTVNRSFFMKWOLRZ-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.17
Rot. Bonds3

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

4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 19787194) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID19787194
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)[nH]c2s1
InChIInChI=1S/C16H12ClNO3S/c1-2-8-7-10-12(9-5-3-4-6-11(9)17)13(16(20)21)14(19)18-15(10)22-8/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyTVNRSFFMKWOLRZ-UHFFFAOYSA-N
XLogP4.17
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (CID 19787194) is 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is CCc1cc2c(-c3ccccc3Cl)c(C(=O)O)c(=O)[nH]c2s1.
What is the InChIKey of 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is TVNRSFFMKWOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-2-8-7-10-12(9-5-3-4-6-11(9)17)13(16(20)21)14(19)18-15(10)22-8/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 333.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-ethyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).