2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid

C13H15NO2S — CID 82383001

IUPAC2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CCCC1)CSC2
InChIInChI=1S/C13H15NO2S/c15-13(16)10-5-9-6-17-7-11(9)14-12(10)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,15,16)
InChIKeyZQMHELSIPSAVBX-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.18
Rot. Bonds2

About 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid

2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid (PubChem CID 82383001) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid
PubChem CID82383001
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1C1CCCC1)CSC2
InChIInChI=1S/C13H15NO2S/c15-13(16)10-5-9-6-17-7-11(9)14-12(10)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,15,16)
InChIKeyZQMHELSIPSAVBX-UHFFFAOYSA-N
XLogP3.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid (CID 82383001) is 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1C1CCCC1)CSC2.
What is the InChIKey of 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is ZQMHELSIPSAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-13(16)10-5-9-6-17-7-11(9)14-12(10)8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,15,16).
What are the key properties of 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid?
2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 82383001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).