7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid

C9H11NO2S — CID 66932226

IUPAC7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
SMILESCC1NCCc2cc(C(=O)O)sc21
InChIInChI=1S/C9H11NO2S/c1-5-8-6(2-3-10-5)4-7(13-8)9(11)12/h4-5,10H,2-3H2,1H3,(H,11,12)
InChIKeyUWFMIVUFGUQZEE-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.65
Rot. Bonds1

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

7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 66932226) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID66932226
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
SMILESCC1NCCc2cc(C(=O)O)sc21
InChIInChI=1S/C9H11NO2S/c1-5-8-6(2-3-10-5)4-7(13-8)9(11)12/h4-5,10H,2-3H2,1H3,(H,11,12)
InChIKeyUWFMIVUFGUQZEE-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid (CID 66932226) is 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid is CC1NCCc2cc(C(=O)O)sc21.
What is the InChIKey of 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is UWFMIVUFGUQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-8-6(2-3-10-5)4-7(13-8)9(11)12/h4-5,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid?
7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 66932226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).