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

C13H6F7N — CID 133089831

IUPAC2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)13(18,19)20/h1-6H
InChIKeyCCSFCRYJGRGTKI-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.93
Rot. Bonds1

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

2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089831) has the molecular formula C13H6F7N and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID133089831
Molecular FormulaC13H6F7N
Molecular Weight309.18 g/mol
Exact Mass309.04
IUPAC Name2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)13(18,19)20/h1-6H
InChIKeyCCSFCRYJGRGTKI-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (CID 133089831) is 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is Fc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is CCSFCRYJGRGTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)13(18,19)20/h1-6H.
What are the key properties of 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 309.18 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).