2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine

C15H11F4N — CID 54485530

IUPAC2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
SMILESCc1cccc(C=Cc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F4N/c1-10-3-2-4-12(20-10)7-5-11-6-8-14(16)13(9-11)15(17,18)19/h2-9H,1H3
InChIKeyXSAIACHKNRQMNB-UHFFFAOYSA-N
MW281.25 g/mol
LogP4.72
Rot. Bonds2

About 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine

2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine (PubChem CID 54485530) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
PubChem CID54485530
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Name2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
SMILESCc1cccc(C=Cc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F4N/c1-10-3-2-4-12(20-10)7-5-11-6-8-14(16)13(9-11)15(17,18)19/h2-9H,1H3
InChIKeyXSAIACHKNRQMNB-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine?
The IUPAC name of 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine (CID 54485530) is 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine is Cc1cccc(C=Cc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine?
The InChIKey is XSAIACHKNRQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N/c1-10-3-2-4-12(20-10)7-5-11-6-8-14(16)13(9-11)15(17,18)19/h2-9H,1H3.
What are the key properties of 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine?
2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine has a molecular weight of 281.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine is sourced from PubChem (CID 54485530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).