3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine

C11H7ClF3NS — CID 1483165

IUPAC3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cc2cccs2)c(Cl)c1
InChIInChI=1S/C11H7ClF3NS/c12-9-4-7(11(13,14)15)6-16-10(9)5-8-2-1-3-17-8/h1-4,6H,5H2
InChIKeyVEFYONICJQHXEA-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.41
Rot. Bonds2

About 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine (PubChem CID 1483165) has the molecular formula C11H7ClF3NS and a molecular weight of 277.70 g/mol. Its IUPAC name is 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine
PubChem CID1483165
Molecular FormulaC11H7ClF3NS
Molecular Weight277.70 g/mol
Exact Mass276.99
IUPAC Name3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cc2cccs2)c(Cl)c1
InChIInChI=1S/C11H7ClF3NS/c12-9-4-7(11(13,14)15)6-16-10(9)5-8-2-1-3-17-8/h1-4,6H,5H2
InChIKeyVEFYONICJQHXEA-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine (CID 1483165) is 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cc2cccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is VEFYONICJQHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NS/c12-9-4-7(11(13,14)15)6-16-10(9)5-8-2-1-3-17-8/h1-4,6H,5H2.
What are the key properties of 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 277.70 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1483165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).