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

C8H9NO2S — CID 21325969

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2sccc2C1
InChIInChI=1S/C8H9NO2S/c10-8(11)9-3-1-7-6(5-9)2-4-12-7/h2,4H,1,3,5H2,(H,10,11)
InChIKeyMYACUGBNALSOTB-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.78
Rot. Bonds

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

6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid (PubChem CID 21325969) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
PubChem CID21325969
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2sccc2C1
InChIInChI=1S/C8H9NO2S/c10-8(11)9-3-1-7-6(5-9)2-4-12-7/h2,4H,1,3,5H2,(H,10,11)
InChIKeyMYACUGBNALSOTB-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 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid (CID 21325969) is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is MYACUGBNALSOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)9-3-1-7-6(5-9)2-4-12-7/h2,4H,1,3,5H2,(H,10,11).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-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 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 21325969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).