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

C10H6FNO2S — CID 54540243

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 CID54540243
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name(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
XLogP2.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).