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

C13H19NO2S — CID 67820253

IUPAC5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCCCCCN1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C13H19NO2S/c1-2-3-4-6-14-7-5-11-10(9-14)8-12(17-11)13(15)16/h8H,2-7,9H2,1H3,(H,15,16)
InChIKeyMRPFHJKFYWSBGF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.99
Rot. Bonds5

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

5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 67820253) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID67820253
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCCCCCN1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C13H19NO2S/c1-2-3-4-6-14-7-5-11-10(9-14)8-12(17-11)13(15)16/h8H,2-7,9H2,1H3,(H,15,16)
InChIKeyMRPFHJKFYWSBGF-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (CID 67820253) is 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is CCCCCN1CCc2sc(C(=O)O)cc2C1.
What is the InChIKey of 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is MRPFHJKFYWSBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-3-4-6-14-7-5-11-10(9-14)8-12(17-11)13(15)16/h8H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 67820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).