3,5-dibromo-2,4,6-trifluoropyridine

C5Br2F3N — CID 2778996

IUPAC3,5-dibromo-2,4,6-trifluoropyridine
SMILESFc1nc(F)c(Br)c(F)c1Br
InChIInChI=1S/C5Br2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKeyAEZGFAXIDZYKCA-UHFFFAOYSA-N
MW290.86 g/mol
LogP3.02
Rot. Bonds

About 3,5-dibromo-2,4,6-trifluoropyridine

3,5-dibromo-2,4,6-trifluoropyridine (PubChem CID 2778996) has the molecular formula C5Br2F3N and a molecular weight of 290.86 g/mol. Its IUPAC name is 3,5-dibromo-2,4,6-trifluoropyridine.

Molecular Properties

Compound Name3,5-dibromo-2,4,6-trifluoropyridine
PubChem CID2778996
Molecular FormulaC5Br2F3N
Molecular Weight290.86 g/mol
Exact Mass288.83
IUPAC Name3,5-dibromo-2,4,6-trifluoropyridine
SMILESFc1nc(F)c(Br)c(F)c1Br
InChIInChI=1S/C5Br2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKeyAEZGFAXIDZYKCA-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 53.02
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 3,5-dibromo-2,4,6-trifluoropyridine?
The IUPAC name of 3,5-dibromo-2,4,6-trifluoropyridine (CID 2778996) is 3,5-dibromo-2,4,6-trifluoropyridine.
What is the SMILES notation for 3,5-dibromo-2,4,6-trifluoropyridine?
The canonical SMILES for 3,5-dibromo-2,4,6-trifluoropyridine is Fc1nc(F)c(Br)c(F)c1Br.
What is the InChIKey of 3,5-dibromo-2,4,6-trifluoropyridine?
The InChIKey is AEZGFAXIDZYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Br2F3N/c6-1-3(8)2(7)5(10)11-4(1)9.
What are the key properties of 3,5-dibromo-2,4,6-trifluoropyridine?
3,5-dibromo-2,4,6-trifluoropyridine has a molecular weight of 290.86 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,4,6-trifluoropyridine is sourced from PubChem (CID 2778996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).