3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine

C11H8F3NS — CID 163268312

IUPAC3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1-c1cccs1
InChIInChI=1S/C11H8F3NS/c1-7-8(11(12,13)14)4-5-15-10(7)9-3-2-6-16-9/h2-6H,1H3
InChIKeyJMHFANQXGWDYMG-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.14
Rot. Bonds1

About 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine

3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 163268312) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine
PubChem CID163268312
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1-c1cccs1
InChIInChI=1S/C11H8F3NS/c1-7-8(11(12,13)14)4-5-15-10(7)9-3-2-6-16-9/h2-6H,1H3
InChIKeyJMHFANQXGWDYMG-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine (CID 163268312) is 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine is Cc1c(C(F)(F)F)ccnc1-c1cccs1.
What is the InChIKey of 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is JMHFANQXGWDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-7-8(11(12,13)14)4-5-15-10(7)9-3-2-6-16-9/h2-6H,1H3.
What are the key properties of 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine?
3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 243.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 163268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).