2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine

C12H4F7N — CID 119006662

IUPAC2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1nc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C12H4F7N/c13-8-7(9(14)11(16)20-10(8)15)5-2-1-3-6(4-5)12(17,18)19/h1-4H
InChIKeyQHKYJZCRMXXMAF-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.32
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine

2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 119006662) has the molecular formula C12H4F7N and a molecular weight of 295.16 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID119006662
Molecular FormulaC12H4F7N
Molecular Weight295.16 g/mol
Exact Mass295.02
IUPAC Name2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1nc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C12H4F7N/c13-8-7(9(14)11(16)20-10(8)15)5-2-1-3-6(4-5)12(17,18)19/h1-4H
InChIKeyQHKYJZCRMXXMAF-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.32
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

1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
2-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 46739890
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
methyl 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]benzoate
CID 118820898
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine (CID 119006662) is 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine is Fc1nc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QHKYJZCRMXXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F7N/c13-8-7(9(14)11(16)20-10(8)15)5-2-1-3-6(4-5)12(17,18)19/h1-4H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine?
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 295.16 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 119006662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).