4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid

C8H7NO2S — CID 91188582

IUPAC4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)C1=Cc2sccc2NC1
InChIInChI=1S/C8H7NO2S/c10-8(11)5-3-7-6(9-4-5)1-2-12-7/h1-3,9H,4H2,(H,10,11)
InChIKeyIPLWOHSXTVVNDK-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.64
Rot. Bonds1

About 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid

4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 91188582) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID91188582
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)C1=Cc2sccc2NC1
InChIInChI=1S/C8H7NO2S/c10-8(11)5-3-7-6(9-4-5)1-2-12-7/h1-3,9H,4H2,(H,10,11)
InChIKeyIPLWOHSXTVVNDK-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid (CID 91188582) is 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)C1=Cc2sccc2NC1.
What is the InChIKey of 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is IPLWOHSXTVVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-8(11)5-3-7-6(9-4-5)1-2-12-7/h1-3,9H,4H2,(H,10,11).
What are the key properties of 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid?
4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 181.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 91188582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).