2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine

C14H8F3NS — CID 22635190

IUPAC2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-8H
InChIKeyGQWCRENJRGIVAF-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.98
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine

2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 22635190) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine
PubChem CID22635190
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-8H
InChIKeyGQWCRENJRGIVAF-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine (CID 22635190) is 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is GQWCRENJRGIVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-8H.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine?
2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 279.29 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 22635190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).