2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine

C15H14F3NOS — CID 23380579

IUPAC2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCSc2ccccc2)n1
InChIInChI=1S/C15H14F3NOS/c1-11-9-12(15(16,17)18)10-14(19-11)20-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8H2,1H3
InChIKeyJPGYZKRRAZBQSO-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.58
Rot. Bonds5

About 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380579) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380579
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCSc2ccccc2)n1
InChIInChI=1S/C15H14F3NOS/c1-11-9-12(15(16,17)18)10-14(19-11)20-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8H2,1H3
InChIKeyJPGYZKRRAZBQSO-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Benzylsulfonyl)-2-isopropoxy-4,6-dimethylpyridine
CID 1479291
3-(Benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine
CID 1486629
2-Methoxy-4,6-dimethyl-3-pyridinyl 2-methylphenyl sulfone
CID 2768943
4,6-Dimethyl-2-(2-methylphenoxy)-3-(methylsulfonyl)pyridine
CID 1475675
4,6-Dimethyl-3-(methylsulfonyl)-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 1475676
2-(4-Fluorophenoxy)-4,6-dimethyl-3-(methylsulfonyl)pyridine
CID 1475677
3-[(2,6-Dimethylphenyl)sulfonyl]-2-isobutoxy-4,6-dimethylpyridine
CID 1488517
2-Methyl-6-phenylmethoxypyridine
CID 261829
2-(4-Methoxyphenoxy)-4,6-dimethyl-3-(methylsulfonyl)pyridine
CID 1475674
2-(2-Ethoxyethoxy)-4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]pyridine
CID 3273249
4,6-Dimethyl-3-[(4-methylphenyl)sulfonyl]-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 1488733
4,6-Dimethyl-3-[(2-methylphenyl)sulfonyl]-2-(neopentyloxy)pyridine
CID 2768950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine (CID 23380579) is 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCSc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is JPGYZKRRAZBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-11-9-12(15(16,17)18)10-14(19-11)20-7-8-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 313.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).