2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine

C11H4F5N — CID 46313129

IUPAC2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C11H4F5N/c12-6-3-1-5(2-4-6)7-8(13)10(15)17-11(16)9(7)14/h1-4H
InChIKeyHKHXSLORJCIQGQ-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.44
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine

2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine (PubChem CID 46313129) has the molecular formula C11H4F5N and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine
PubChem CID46313129
Molecular FormulaC11H4F5N
Molecular Weight245.15 g/mol
Exact Mass245.03
IUPAC Name2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C11H4F5N/c12-6-3-1-5(2-4-6)7-8(13)10(15)17-11(16)9(7)14/h1-4H
InChIKeyHKHXSLORJCIQGQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.44
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 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine (CID 46313129) is 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine is Fc1ccc(-c2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine?
The InChIKey is HKHXSLORJCIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F5N/c12-6-3-1-5(2-4-6)7-8(13)10(15)17-11(16)9(7)14/h1-4H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine?
2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine has a molecular weight of 245.15 g/mol, XLogP of 3.44, 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-(4-fluorophenyl)pyridine is sourced from PubChem (CID 46313129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).