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

C10H9NO3S — CID 19100425

IUPAC2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(=O)c(C(=O)O)c[nH]c2s1
InChIInChI=1S/C10H9NO3S/c1-2-5-3-6-8(12)7(10(13)14)4-11-9(6)15-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyGQQOLQPTIVDPON-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.85
Rot. Bonds2

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

2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 19100425) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID19100425
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCc1cc2c(=O)c(C(=O)O)c[nH]c2s1
InChIInChI=1S/C10H9NO3S/c1-2-5-3-6-8(12)7(10(13)14)4-11-9(6)15-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyGQQOLQPTIVDPON-UHFFFAOYSA-N
XLogP1.85
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid (CID 19100425) is 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is CCc1cc2c(=O)c(C(=O)O)c[nH]c2s1.
What is the InChIKey of 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is GQQOLQPTIVDPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-5-3-6-8(12)7(10(13)14)4-11-9(6)15-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid?
2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19100425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).