2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine

C13H10F3NO — CID 102190451

IUPAC2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3NO/c1-9-3-2-4-12(17-9)18-11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3
InChIKeyCPUHTNLYCDFKHD-UHFFFAOYSA-N
MW253.22 g/mol
LogP4.20
Rot. Bonds2

About 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine

2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 102190451) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID102190451
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3NO/c1-9-3-2-4-12(17-9)18-11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3
InChIKeyCPUHTNLYCDFKHD-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine (CID 102190451) is 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine is Cc1cccc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is CPUHTNLYCDFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-9-3-2-4-12(17-9)18-11-7-5-10(6-8-11)13(14,15)16/h2-8H,1H3.
What are the key properties of 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine?
2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 253.22 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 102190451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).