3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid

C10H7NO5S — CID 5327045

IUPAC3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc2ncccc12
InChIInChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyJGZSWLHKOMFYHS-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.46
Rot. Bonds4

About 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid

3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 5327045) has the molecular formula C10H7NO5S and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID5327045
Molecular FormulaC10H7NO5S
Molecular Weight253.23 g/mol
Exact Mass253.00
IUPAC Name3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc2ncccc12
InChIInChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyJGZSWLHKOMFYHS-UHFFFAOYSA-N
XLogP1.46
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid (CID 5327045) is 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)COc1c(C(=O)O)sc2ncccc12.
What is the InChIKey of 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is JGZSWLHKOMFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid?
3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 5327045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).