4-[3-(trifluoromethoxy)phenyl]pyridine

C12H8F3NO — CID 46317167

IUPAC4-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-8H
InChIKeyINYMEKTZOYXFST-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.65
Rot. Bonds2

About 4-[3-(trifluoromethoxy)phenyl]pyridine

4-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 46317167) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID46317167
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccncc2)c1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-8H
InChIKeyINYMEKTZOYXFST-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 4-[3-(trifluoromethoxy)phenyl]pyridine (CID 46317167) is 4-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 4-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 4-[3-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1cccc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is INYMEKTZOYXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-8H.
What are the key properties of 4-[3-(trifluoromethoxy)phenyl]pyridine?
4-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 239.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 46317167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).