5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

C8H9NO2S — CID 91284254

IUPAC5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2ccsc2C1
InChIInChI=1S/C8H9NO2S/c10-8(11)9-3-1-6-2-4-12-7(6)5-9/h2,4H,1,3,5H2,(H,10,11)
InChIKeyTWHIEYJGQDNDTR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.78
Rot. Bonds

About 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (PubChem CID 91284254) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
PubChem CID91284254
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2ccsc2C1
InChIInChI=1S/C8H9NO2S/c10-8(11)9-3-1-6-2-4-12-7(6)5-9/h2,4H,1,3,5H2,(H,10,11)
InChIKeyTWHIEYJGQDNDTR-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (CID 91284254) is 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2ccsc2C1.
What is the InChIKey of 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is TWHIEYJGQDNDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)9-3-1-6-2-4-12-7(6)5-9/h2,4H,1,3,5H2,(H,10,11).
What are the key properties of 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 91284254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).