3-chlorothieno[3,2-b]pyridine-5-carboxylic acid

C8H4ClNO2S — CID 19002850

IUPAC3-chlorothieno[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2scc(Cl)c2n1
InChIInChI=1S/C8H4ClNO2S/c9-4-3-13-6-2-1-5(8(11)12)10-7(4)6/h1-3H,(H,11,12)
InChIKeyTYAYOYYQUGJEIZ-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.65
Rot. Bonds1

About 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid

3-chlorothieno[3,2-b]pyridine-5-carboxylic acid (PubChem CID 19002850) has the molecular formula C8H4ClNO2S and a molecular weight of 213.65 g/mol. Its IUPAC name is 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-chlorothieno[3,2-b]pyridine-5-carboxylic acid
PubChem CID19002850
Molecular FormulaC8H4ClNO2S
Molecular Weight213.65 g/mol
Exact Mass212.97
IUPAC Name3-chlorothieno[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2scc(Cl)c2n1
InChIInChI=1S/C8H4ClNO2S/c9-4-3-13-6-2-1-5(8(11)12)10-7(4)6/h1-3H,(H,11,12)
InChIKeyTYAYOYYQUGJEIZ-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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Frequently Asked Questions

What is the IUPAC name of 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid (CID 19002850) is 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2scc(Cl)c2n1.
What is the InChIKey of 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is TYAYOYYQUGJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S/c9-4-3-13-6-2-1-5(8(11)12)10-7(4)6/h1-3H,(H,11,12).
What are the key properties of 3-chlorothieno[3,2-b]pyridine-5-carboxylic acid?
3-chlorothieno[3,2-b]pyridine-5-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[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19002850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).