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

C13H6F7N — CID 133089826

IUPAC2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-11-10(13(18,19)20)9(4-5-21-11)7-2-1-3-8(6-7)12(15,16)17/h1-6H
InChIKeyQKAQYFNXGPSUOT-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.93
Rot. Bonds1

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

2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089826) has the molecular formula C13H6F7N and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID133089826
Molecular FormulaC13H6F7N
Molecular Weight309.18 g/mol
Exact Mass309.04
IUPAC Name2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-11-10(13(18,19)20)9(4-5-21-11)7-2-1-3-8(6-7)12(15,16)17/h1-6H
InChIKeyQKAQYFNXGPSUOT-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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Related Compounds

2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 134620714
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine (CID 133089826) is 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine is Fc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QKAQYFNXGPSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N/c14-11-10(13(18,19)20)9(4-5-21-11)7-2-1-3-8(6-7)12(15,16)17/h1-6H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
2-fluoro-3-(trifluoromethyl)-4-[3-(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-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).