2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine

C14H12F3NO2S — CID 162575934

IUPAC2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine
SMILESCc1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2C)n1
InChIInChI=1S/C14H12F3NO2S/c1-9-6-7-11(21(19,20)14(15,16)17)8-12(9)13-5-3-4-10(2)18-13/h3-8H,1-2H3
InChIKeyALXHYIBQSXICCS-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.66
Rot. Bonds2

About 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine

2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine (PubChem CID 162575934) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine
PubChem CID162575934
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine
SMILESCc1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2C)n1
InChIInChI=1S/C14H12F3NO2S/c1-9-6-7-11(21(19,20)14(15,16)17)8-12(9)13-5-3-4-10(2)18-13/h3-8H,1-2H3
InChIKeyALXHYIBQSXICCS-UHFFFAOYSA-N
XLogP3.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine?
The IUPAC name of 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine (CID 162575934) is 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine.
What is the SMILES notation for 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine?
The canonical SMILES for 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine is Cc1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2C)n1.
What is the InChIKey of 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine?
The InChIKey is ALXHYIBQSXICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-9-6-7-11(21(19,20)14(15,16)17)8-12(9)13-5-3-4-10(2)18-13/h3-8H,1-2H3.
What are the key properties of 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine?
2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine has a molecular weight of 315.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine is sourced from PubChem (CID 162575934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).