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

C8H4ClNO2S — CID 16640112

IUPAC3-chlorothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1Cl
InChIInChI=1S/C8H4ClNO2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,(H,11,12)
InChIKeyUYYCHKKPKUVKIW-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.65
Rot. Bonds1

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

3-chlorothieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 16640112) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chlorothieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID16640112
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name3-chlorothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1Cl
InChIInChI=1S/C8H4ClNO2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,(H,11,12)
InChIKeyUYYCHKKPKUVKIW-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
(4-Fluorophenyl)methyl 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23585367
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid
CID 18516108
3-Hydroxy-thieno[2,3-b]pyridine-2-carboxylic acid
CID 54738854
Thieno(2,3-b)pyridine-2-carboxylic acid
CID 7162095
Thieno[3,2-c]pyridine-2-carboxylic acid
CID 13580293
Thieno[2,3-b]pyridine-5-carboxylic acid
CID 14025921
Methyl thieno[3,2-c]pyridine-2-carboxylate
CID 22047666
5-Acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 25312868
Methyl 4-chloro-5-cyanothieno(2,3-b)pyridine-2-carboxylate
CID 69252041
5-Bromothieno[2,3-b]pyridine-2-carboxylic acid
CID 71042699

Frequently Asked Questions

What is the IUPAC name of 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid (CID 16640112) is 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1Cl.
What is the InChIKey of 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is UYYCHKKPKUVKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,(H,11,12).
What are the key properties of 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid?
3-chlorothieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 213.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 16640112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).