2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine

C12H7F4N — CID 133094917

IUPAC2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine
SMILESFc1ncc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C12H7F4N/c13-11-10(12(14,15)16)6-9(7-17-11)8-4-2-1-3-5-8/h1-7H
InChIKeyCWMRLDUUQDGFMP-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.91
Rot. Bonds1

About 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine

2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine (PubChem CID 133094917) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine
PubChem CID133094917
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine
SMILESFc1ncc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C12H7F4N/c13-11-10(12(14,15)16)6-9(7-17-11)8-4-2-1-3-5-8/h1-7H
InChIKeyCWMRLDUUQDGFMP-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.91
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-fluoro-5-phenyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine (CID 133094917) is 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine is Fc1ncc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine?
The InChIKey is CWMRLDUUQDGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-11-10(12(14,15)16)6-9(7-17-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine?
2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine has a molecular weight of 241.19 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133094917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).