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

C9H12ClNO2S — CID 91666213

IUPAC6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCc2cc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;/h4H,2-3,5H2,1H3,(H,11,12);1H
InChIKeyXMPRULRIZDXROC-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.86
Rot. Bonds1

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

6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 91666213) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride
PubChem CID91666213
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCc2cc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C9H11NO2S.ClH/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;/h4H,2-3,5H2,1H3,(H,11,12);1H
InChIKeyXMPRULRIZDXROC-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride (CID 91666213) is 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride is CN1CCc2cc(C(=O)O)sc2C1.Cl.
What is the InChIKey of 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is XMPRULRIZDXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c1-10-3-2-6-4-7(9(11)12)13-8(6)5-10;/h4H,2-3,5H2,1H3,(H,11,12);1H.
What are the key properties of 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride?
6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 91666213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).