3-phenyl-2-(3,4,5-trifluorophenyl)pyridine

C17H10F3N — CID 168821667

IUPAC3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ncccc2-c2ccccc2)cc(F)c1F
InChIInChI=1S/C17H10F3N/c18-14-9-12(10-15(19)16(14)20)17-13(7-4-8-21-17)11-5-2-1-3-6-11/h1-10H
InChIKeyKZVMPJGUEBMJPY-UHFFFAOYSA-N
MW285.27 g/mol
LogP4.83
Rot. Bonds2

About 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine

3-phenyl-2-(3,4,5-trifluorophenyl)pyridine (PubChem CID 168821667) has the molecular formula C17H10F3N and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
PubChem CID168821667
Molecular FormulaC17H10F3N
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ncccc2-c2ccccc2)cc(F)c1F
InChIInChI=1S/C17H10F3N/c18-14-9-12(10-15(19)16(14)20)17-13(7-4-8-21-17)11-5-2-1-3-6-11/h1-10H
InChIKeyKZVMPJGUEBMJPY-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine (CID 168821667) is 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine is Fc1cc(-c2ncccc2-c2ccccc2)cc(F)c1F.
What is the InChIKey of 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is KZVMPJGUEBMJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N/c18-14-9-12(10-15(19)16(14)20)17-13(7-4-8-21-17)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine?
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 285.27 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 168821667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).