2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine

C10H10F3NS — CID 143644979

IUPAC2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine
SMILESC=C(C)CSc1ncccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS/c1-7(2)6-15-9-8(10(11,12)13)4-3-5-14-9/h3-5H,1,6H2,2H3
InChIKeyJPSPQQJMBQQNNI-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine

2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine (PubChem CID 143644979) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine
PubChem CID143644979
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine
SMILESC=C(C)CSc1ncccc1C(F)(F)F
InChIInChI=1S/C10H10F3NS/c1-7(2)6-15-9-8(10(11,12)13)4-3-5-14-9/h3-5H,1,6H2,2H3
InChIKeyJPSPQQJMBQQNNI-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinemethanethiol
CID 205225
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
Pyridine, 3-((methylthio)methyl)-
CID 3053474
3-(Difluoromethyl)pyridine
CID 640475
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
4-(2-(Benzylthio)ethyl)pyridine
CID 210230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine (CID 143644979) is 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine is C=C(C)CSc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine?
The InChIKey is JPSPQQJMBQQNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-7(2)6-15-9-8(10(11,12)13)4-3-5-14-9/h3-5H,1,6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine?
2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine has a molecular weight of 233.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 143644979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).