5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine

C14H9F6N — CID 144704292

IUPAC5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F6N/c1-8-6-10(13(15,16)17)3-4-11(8)9-2-5-12(21-7-9)14(18,19)20/h2-7H,1H3
InChIKeyHFCQWGUGQOLWRR-UHFFFAOYSA-N
MW305.22 g/mol
LogP5.09
Rot. Bonds1

About 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine

5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 144704292) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID144704292
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H9F6N/c1-8-6-10(13(15,16)17)3-4-11(8)9-2-5-12(21-7-9)14(18,19)20/h2-7H,1H3
InChIKeyHFCQWGUGQOLWRR-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine (CID 144704292) is 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is HFCQWGUGQOLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c1-8-6-10(13(15,16)17)3-4-11(8)9-2-5-12(21-7-9)14(18,19)20/h2-7H,1H3.
What are the key properties of 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine?
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 305.22 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 144704292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).