2,4,6-trifluoropyridine

C5H2F3N — CID 2783289

IUPAC2,4,6-trifluoropyridine
SMILESFc1cc(F)nc(F)c1
InChIInChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
InChIKeyUZDRWXKBKVVUTE-UHFFFAOYSA-N
MW133.07 g/mol
LogP1.50
Rot. Bonds

About 2,4,6-trifluoropyridine

2,4,6-trifluoropyridine (PubChem CID 2783289) has the molecular formula C5H2F3N and a molecular weight of 133.07 g/mol. Its IUPAC name is 2,4,6-trifluoropyridine.

Molecular Properties

Compound Name2,4,6-trifluoropyridine
PubChem CID2783289
Molecular FormulaC5H2F3N
Molecular Weight133.07 g/mol
Exact Mass133.01
IUPAC Name2,4,6-trifluoropyridine
SMILESFc1cc(F)nc(F)c1
InChIInChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
InChIKeyUZDRWXKBKVVUTE-UHFFFAOYSA-N
XLogP1.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.07
LogP ≤ 51.50
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 2,4,6-trifluoropyridine?
The IUPAC name of 2,4,6-trifluoropyridine (CID 2783289) is 2,4,6-trifluoropyridine.
What is the SMILES notation for 2,4,6-trifluoropyridine?
The canonical SMILES for 2,4,6-trifluoropyridine is Fc1cc(F)nc(F)c1.
What is the InChIKey of 2,4,6-trifluoropyridine?
The InChIKey is UZDRWXKBKVVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H.
What are the key properties of 2,4,6-trifluoropyridine?
2,4,6-trifluoropyridine has a molecular weight of 133.07 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoropyridine is sourced from PubChem (CID 2783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).