(3-fluoro-4-pyridinyl) thiophene-2-carboxylate

Name: (3-fluoro-4-pyridinyl) thiophene-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₆FNO₂S — CID 54540243

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

IUPAC(3-fluoro-4-pyridinyl) thiophene-2-carboxylate

SMILESO=C(Oc1ccncc1F)c1cccs1

InChIInChI=1S/C10H6FNO2S/c11-7-6-12-4-3-8(7)14-10(13)9-2-1-5-15-9/h1-6H

InChIKeyYGRJBWATEJLPIH-UHFFFAOYSA-N

MW223.23 g/mol

LogP2.50

Rot. Bonds2

About (3-fluoro-4-pyridinyl) thiophene-2-carboxylate

(3-fluoro-4-pyridinyl) thiophene-2-carboxylate (PubChem CID 54540243) has the molecular formula C₁₀H₆FNO₂S and a molecular weight of 223.23 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name	(3-fluoro-4-pyridinyl) thiophene-2-carboxylate
PubChem CID	54540243
Molecular Formula	C₁₀H₆FNO₂S
Molecular Weight	223.23 g/mol
Exact Mass	223.01
IUPAC Name	(3-fluoro-4-pyridinyl) thiophene-2-carboxylate
SMILES	O=C(Oc1ccncc1F)c1cccs1
InChI	InChI=1S/C10H6FNO2S/c11-7-6-12-4-3-8(7)14-10(13)9-2-1-5-15-9/h1-6H
InChIKey	YGRJBWATEJLPIH-UHFFFAOYSA-N
XLogP	2.50
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.23
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl) thiophene-2-carboxylate?

The IUPAC name of (3-fluoro-4-pyridinyl) thiophene-2-carboxylate (CID 54540243) is (3-fluoro-4-pyridinyl) thiophene-2-carboxylate.

What is the SMILES notation for (3-fluoro-4-pyridinyl) thiophene-2-carboxylate?

The canonical SMILES for (3-fluoro-4-pyridinyl) thiophene-2-carboxylate is O=C(Oc1ccncc1F)c1cccs1.

What is the InChIKey of (3-fluoro-4-pyridinyl) thiophene-2-carboxylate?

The InChIKey is YGRJBWATEJLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-7-6-12-4-3-8(7)14-10(13)9-2-1-5-15-9/h1-6H.

What are the key properties of (3-fluoro-4-pyridinyl) thiophene-2-carboxylate?

(3-fluoro-4-pyridinyl) thiophene-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-4-pyridinyl) thiophene-2-carboxylate is sourced from PubChem (CID 54540243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 54540243 — identifiers, structure, computed properties (public domain)

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