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

C22H8F8N2 — CID 91552480

IUPAC4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)c(F)c(F)c1-c1ccncc1
InChIInChI=1S/C22H8F8N2/c23-15-11(9-1-5-31-6-2-9)16(24)20(28)13(19(15)27)14-21(29)17(25)12(18(26)22(14)30)10-3-7-32-8-4-10/h1-8H
InChIKeyXXMYTEQSJGWCRY-UHFFFAOYSA-N
MW452.30 g/mol
LogP6.59
Rot. Bonds3

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

4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine (PubChem CID 91552480) has the molecular formula C22H8F8N2 and a molecular weight of 452.30 g/mol. Its IUPAC name is 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine
PubChem CID91552480
Molecular FormulaC22H8F8N2
Molecular Weight452.30 g/mol
Exact Mass452.06
IUPAC Name4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine
SMILESFc1c(F)c(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)c(F)c(F)c1-c1ccncc1
InChIInChI=1S/C22H8F8N2/c23-15-11(9-1-5-31-6-2-9)16(24)20(28)13(19(15)27)14-21(29)17(25)12(18(26)22(14)30)10-3-7-32-8-4-10/h1-8H
InChIKeyXXMYTEQSJGWCRY-UHFFFAOYSA-N
XLogP6.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenylpyridine
CID 13651
4,4'-Bipyridine
CID 11107
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
1,3-Bis(4-pyridyl)propane
CID 87019
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
BC-1215
CID 72201045
Benzylviologen
CID 14196
3-Phenyl-4-propylpyridine
CID 104638
1,2-Bis(4-pyridyl)ethane
CID 78630

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine?
The IUPAC name of 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine (CID 91552480) is 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine?
The canonical SMILES for 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine is Fc1c(F)c(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)c(F)c(F)c1-c1ccncc1.
What is the InChIKey of 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine?
The InChIKey is XXMYTEQSJGWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F8N2/c23-15-11(9-1-5-31-6-2-9)16(24)20(28)13(19(15)27)14-21(29)17(25)12(18(26)22(14)30)10-3-7-32-8-4-10/h1-8H.
What are the key properties of 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine?
4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine has a molecular weight of 452.30 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 91552480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).