2-thieno[3,2-b]pyridin-7-ylacetic acid

C9H7NO2S — CID 67338156

IUPAC2-thieno[3,2-b]pyridin-7-ylacetic acid
SMILESO=C(O)Cc1ccnc2ccsc12
InChIInChI=1S/C9H7NO2S/c11-8(12)5-6-1-3-10-7-2-4-13-9(6)7/h1-4H,5H2,(H,11,12)
InChIKeyFYTIODLMVILJCV-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.92
Rot. Bonds2

About 2-thieno[3,2-b]pyridin-7-ylacetic acid

2-thieno[3,2-b]pyridin-7-ylacetic acid (PubChem CID 67338156) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-thieno[3,2-b]pyridin-7-ylacetic acid.

Molecular Properties

Compound Name2-thieno[3,2-b]pyridin-7-ylacetic acid
PubChem CID67338156
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name2-thieno[3,2-b]pyridin-7-ylacetic acid
SMILESO=C(O)Cc1ccnc2ccsc12
InChIInChI=1S/C9H7NO2S/c11-8(12)5-6-1-3-10-7-2-4-13-9(6)7/h1-4H,5H2,(H,11,12)
InChIKeyFYTIODLMVILJCV-UHFFFAOYSA-N
XLogP1.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]pyridin-7-ylacetic acid?
The IUPAC name of 2-thieno[3,2-b]pyridin-7-ylacetic acid (CID 67338156) is 2-thieno[3,2-b]pyridin-7-ylacetic acid.
What is the SMILES notation for 2-thieno[3,2-b]pyridin-7-ylacetic acid?
The canonical SMILES for 2-thieno[3,2-b]pyridin-7-ylacetic acid is O=C(O)Cc1ccnc2ccsc12.
What is the InChIKey of 2-thieno[3,2-b]pyridin-7-ylacetic acid?
The InChIKey is FYTIODLMVILJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-8(12)5-6-1-3-10-7-2-4-13-9(6)7/h1-4H,5H2,(H,11,12).
What are the key properties of 2-thieno[3,2-b]pyridin-7-ylacetic acid?
2-thieno[3,2-b]pyridin-7-ylacetic acid has a molecular weight of 193.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]pyridin-7-ylacetic acid is sourced from PubChem (CID 67338156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).