2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid

C8H3BrClNO2S — CID 117275199

IUPAC2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Br)sc2c1Cl
InChIInChI=1S/C8H3BrClNO2S/c9-5-1-4-7(14-5)6(10)3(2-11-4)8(12)13/h1-2H,(H,12,13)
InChIKeyYBLKOTTVBTWOTI-UHFFFAOYSA-N
MW292.54 g/mol
LogP3.41
Rot. Bonds1

About 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid

2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 117275199) has the molecular formula C8H3BrClNO2S and a molecular weight of 292.54 g/mol. Its IUPAC name is 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID117275199
Molecular FormulaC8H3BrClNO2S
Molecular Weight292.54 g/mol
Exact Mass290.88
IUPAC Name2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Br)sc2c1Cl
InChIInChI=1S/C8H3BrClNO2S/c9-5-1-4-7(14-5)6(10)3(2-11-4)8(12)13/h1-2H,(H,12,13)
InChIKeyYBLKOTTVBTWOTI-UHFFFAOYSA-N
XLogP3.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-7-chlorothieno[3,2-b]pyridine-6-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 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid (CID 117275199) is 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2cc(Br)sc2c1Cl.
What is the InChIKey of 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is YBLKOTTVBTWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClNO2S/c9-5-1-4-7(14-5)6(10)3(2-11-4)8(12)13/h1-2H,(H,12,13).
What are the key properties of 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid?
2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 292.54 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 117275199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).