2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine

C13H10F3NS — CID 162412116

IUPAC2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine
SMILESCc1ccc(-c2cc(SC(F)(F)F)ccn2)cc1
InChIInChI=1S/C13H10F3NS/c1-9-2-4-10(5-3-9)12-8-11(6-7-17-12)18-13(14,15)16/h2-8H,1H3
InChIKeyUTQZDALUIIXGMB-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.67
Rot. Bonds2

About 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine

2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine (PubChem CID 162412116) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine
PubChem CID162412116
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine
SMILESCc1ccc(-c2cc(SC(F)(F)F)ccn2)cc1
InChIInChI=1S/C13H10F3NS/c1-9-2-4-10(5-3-9)12-8-11(6-7-17-12)18-13(14,15)16/h2-8H,1H3
InChIKeyUTQZDALUIIXGMB-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
CID 144826439
4-ethyl-2-(4-methylphenyl)pyridine
CID 165358443
4-(2,2-dimethylpropyl)-2-(4-methylphenyl)pyridine
CID 162485913
4-(trifluoromethylsulfanyl)pyridine-2-carboxylic acid
CID 79554205
2-(4-bromophenyl)-4-(4-methylphenyl)pyridine
CID 175163792
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
CID 122547721
4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 164797295
1,2-dimethyl-4-(trifluoromethylsulfanyl)benzene;ethane
CID 143144581
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
5-(trifluoromethylsulfanyl)-2H-benzotriazole
CID 119087324

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine (CID 162412116) is 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine is Cc1ccc(-c2cc(SC(F)(F)F)ccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine?
The InChIKey is UTQZDALUIIXGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c1-9-2-4-10(5-3-9)12-8-11(6-7-17-12)18-13(14,15)16/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine?
2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine has a molecular weight of 269.29 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 162412116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).