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

C12H6F5N — CID 130181966

IUPAC5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H6F5N/c13-8-2-4-11(18-6-8)7-1-3-10(14)9(5-7)12(15,16)17/h1-6H
InChIKeyHOYIVSJXLCRMFQ-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.05
Rot. Bonds1

About 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine

5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 130181966) has the molecular formula C12H6F5N and a molecular weight of 259.18 g/mol. Its IUPAC name is 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
PubChem CID130181966
Molecular FormulaC12H6F5N
Molecular Weight259.18 g/mol
Exact Mass259.04
IUPAC Name5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H6F5N/c13-8-2-4-11(18-6-8)7-1-3-10(14)9(5-7)12(15,16)17/h1-6H
InChIKeyHOYIVSJXLCRMFQ-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine (CID 130181966) is 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine is Fc1ccc(-c2ccc(F)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HOYIVSJXLCRMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5N/c13-8-2-4-11(18-6-8)7-1-3-10(14)9(5-7)12(15,16)17/h1-6H.
What are the key properties of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine?
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 259.18 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 130181966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).