4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid

Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₃NO₃S — CID 43452700

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid

SMILESO=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1

InChIInChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19)

InChIKeyCGTQPHJVTUEXEE-UHFFFAOYSA-N

MW287.34 g/mol

LogP2.64

Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid (PubChem CID 43452700) has the molecular formula C₁₅H₁₃NO₃S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid.

Molecular Properties

Compound Name	4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
PubChem CID	43452700
Molecular Formula	C₁₅H₁₃NO₃S
Molecular Weight	287.34 g/mol
Exact Mass	287.06
IUPAC Name	4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
SMILES	O=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1
InChI	InChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19)
InChIKey	CGTQPHJVTUEXEE-UHFFFAOYSA-N
XLogP	2.64
TPSA	57.61 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.34
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?

The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid (CID 43452700) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid.

What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?

The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid is O=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1.

What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?

The InChIKey is CGTQPHJVTUEXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19).

What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid is sourced from PubChem (CID 43452700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 43452700 — identifiers, structure, computed properties (public domain)

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