3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine

C₁₂H₉ClF₃NS — CID 130394984

About 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine

3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 130394984) has the molecular formula C₁₂H₉ClF₃NS and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine
• PubChem CID: 130394984
• Molecular Formula: C₁₂H₉ClF₃NS
• Molecular Weight: 291.73 g/mol
• Exact Mass: 291.01
• IUPAC Name: 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine
• SMILES: CCc1sc(-c2cncc(C(F)(F)F)c2)cc1Cl
• InChI: InChI=1S/C12H9ClF3NS/c1-2-10-9(13)4-11(18-10)7-3-8(6-17-5-7)12(14,15)16/h3-6H,2H2,1H3
• InChIKey: WMDJVMMXHALNRS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	291.73
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?

The IUPAC name of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine (CID 130394984) is 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?

The canonical SMILES for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine is CCc1sc(-c2cncc(C(F)(F)F)c2)cc1Cl.

What is the InChIKey of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?

The InChIKey is WMDJVMMXHALNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c1-2-10-9(13)4-11(18-10)7-3-8(6-17-5-7)12(14,15)16/h3-6H,2H2,1H3.

What are the key properties of 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine?

3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 291.73 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-5-ethylthiophen-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130394984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130394984 — identifiers, structure, computed properties (public domain)

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