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

C9H7NO2S — CID 82402092

IUPAC2-thieno[2,3-b]pyridin-3-ylacetic acid
SMILESO=C(O)Cc1csc2ncccc12
InChIInChI=1S/C9H7NO2S/c11-8(12)4-6-5-13-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,11,12)
InChIKeyRIAVMXMVPATCLU-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.92
Rot. Bonds2

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

2-thieno[2,3-b]pyridin-3-ylacetic acid (PubChem CID 82402092) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-thieno[2,3-b]pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-thieno[2,3-b]pyridin-3-ylacetic acid
PubChem CID82402092
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name2-thieno[2,3-b]pyridin-3-ylacetic acid
SMILESO=C(O)Cc1csc2ncccc12
InChIInChI=1S/C9H7NO2S/c11-8(12)4-6-5-13-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,11,12)
InChIKeyRIAVMXMVPATCLU-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[2,3-b]pyridin-3-ylacetic acid?
The IUPAC name of 2-thieno[2,3-b]pyridin-3-ylacetic acid (CID 82402092) is 2-thieno[2,3-b]pyridin-3-ylacetic acid.
What is the SMILES notation for 2-thieno[2,3-b]pyridin-3-ylacetic acid?
The canonical SMILES for 2-thieno[2,3-b]pyridin-3-ylacetic acid is O=C(O)Cc1csc2ncccc12.
What is the InChIKey of 2-thieno[2,3-b]pyridin-3-ylacetic acid?
The InChIKey is RIAVMXMVPATCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-8(12)4-6-5-13-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,11,12).
What are the key properties of 2-thieno[2,3-b]pyridin-3-ylacetic acid?
2-thieno[2,3-b]pyridin-3-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[2,3-b]pyridin-3-ylacetic acid is sourced from PubChem (CID 82402092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).