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

C9H11NO2S — CID 19622690

IUPAC5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCN1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C9H11NO2S/c1-10-3-2-7-6(5-10)4-8(13-7)9(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyOAGKJKSEAGVECC-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds1

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

5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 19622690) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID19622690
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCN1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C9H11NO2S/c1-10-3-2-7-6(5-10)4-8(13-7)9(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyOAGKJKSEAGVECC-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (CID 19622690) is 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is CN1CCc2sc(C(=O)O)cc2C1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is OAGKJKSEAGVECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-3-2-7-6(5-10)4-8(13-7)9(11)12/h4H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 19622690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).