5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid

C13H12ClNO2S — CID 129175014

IUPAC5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cnc(Cl)cc2c1C1CCCC1
InChIInChI=1S/C13H12ClNO2S/c14-10-5-8-9(6-15-10)18-12(13(16)17)11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyRBQVCTOHHMFLMV-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.31
Rot. Bonds2

About 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid

5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 129175014) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID129175014
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cnc(Cl)cc2c1C1CCCC1
InChIInChI=1S/C13H12ClNO2S/c14-10-5-8-9(6-15-10)18-12(13(16)17)11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyRBQVCTOHHMFLMV-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid (CID 129175014) is 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1sc2cnc(Cl)cc2c1C1CCCC1.
What is the InChIKey of 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is RBQVCTOHHMFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-10-5-8-9(6-15-10)18-12(13(16)17)11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17).
What are the key properties of 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid?
5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 281.76 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 129175014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).