3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid

C8H5NO3S — CID 54738854

IUPAC3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1O
InChIInChI=1S/C8H5NO3S/c10-5-4-2-1-3-9-7(4)13-6(5)8(11)12/h1-3,10H,(H,11,12)
InChIKeyYVYQYTWFDUOYPC-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.70
Rot. Bonds1

About 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid

3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 54738854) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID54738854
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1O
InChIInChI=1S/C8H5NO3S/c10-5-4-2-1-3-9-7(4)13-6(5)8(11)12/h1-3,10H,(H,11,12)
InChIKeyYVYQYTWFDUOYPC-UHFFFAOYSA-N
XLogP1.70
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid (CID 54738854) is 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1O.
What is the InChIKey of 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YVYQYTWFDUOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-5-4-2-1-3-9-7(4)13-6(5)8(11)12/h1-3,10H,(H,11,12).
What are the key properties of 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid?
3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxythieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 54738854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).