3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine

C12H7F4N — CID 46317075

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N/c13-9-3-4-10(8-2-1-5-17-7-8)11(6-9)12(14,15)16/h1-7H
InChIKeyWAGORYBOBMZUOR-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.91
Rot. Bonds1

About 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine

3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine (PubChem CID 46317075) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
PubChem CID46317075
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N/c13-9-3-4-10(8-2-1-5-17-7-8)11(6-9)12(14,15)16/h1-7H
InChIKeyWAGORYBOBMZUOR-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine (CID 46317075) is 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine is Fc1ccc(-c2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is WAGORYBOBMZUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-9-3-4-10(8-2-1-5-17-7-8)11(6-9)12(14,15)16/h1-7H.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine?
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 241.19 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46317075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).