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

C17H9F4N — CID 100973189

IUPAC2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2ccc(-c3ccccc3)cc2)c1F
InChIInChI=1S/C17H9F4N/c18-14-13(15(19)17(21)22-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyJZOORHOVDFNBED-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.97
Rot. Bonds2

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

2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine (PubChem CID 100973189) has the molecular formula C17H9F4N and a molecular weight of 303.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine
PubChem CID100973189
Molecular FormulaC17H9F4N
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Name2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine
SMILESFc1nc(F)c(F)c(-c2ccc(-c3ccccc3)cc2)c1F
InChIInChI=1S/C17H9F4N/c18-14-13(15(19)17(21)22-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyJZOORHOVDFNBED-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.97
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-phenylphenyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine (CID 100973189) is 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine is Fc1nc(F)c(F)c(-c2ccc(-c3ccccc3)cc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine?
The InChIKey is JZOORHOVDFNBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N/c18-14-13(15(19)17(21)22-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine?
2,3,5,6-tetrafluoro-4-(4-phenylphenyl)pyridine has a molecular weight of 303.26 g/mol, XLogP of 4.97, 2 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-phenylphenyl)pyridine is sourced from PubChem (CID 100973189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).