2,6-dibromo-4-(difluoromethyl)pyridine

C6H3Br2F2N — CID 119006389

IUPAC2,6-dibromo-4-(difluoromethyl)pyridine
SMILESFC(F)c1cc(Br)nc(Br)c1
InChIInChI=1S/C6H3Br2F2N/c7-4-1-3(6(9)10)2-5(8)11-4/h1-2,6H
InChIKeySUXPXTUYNMILLJ-UHFFFAOYSA-N
MW286.90 g/mol
LogP3.54
Rot. Bonds1

About 2,6-dibromo-4-(difluoromethyl)pyridine

2,6-dibromo-4-(difluoromethyl)pyridine (PubChem CID 119006389) has the molecular formula C6H3Br2F2N and a molecular weight of 286.90 g/mol. Its IUPAC name is 2,6-dibromo-4-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-4-(difluoromethyl)pyridine
PubChem CID119006389
Molecular FormulaC6H3Br2F2N
Molecular Weight286.90 g/mol
Exact Mass284.86
IUPAC Name2,6-dibromo-4-(difluoromethyl)pyridine
SMILESFC(F)c1cc(Br)nc(Br)c1
InChIInChI=1S/C6H3Br2F2N/c7-4-1-3(6(9)10)2-5(8)11-4/h1-2,6H
InChIKeySUXPXTUYNMILLJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.90
LogP ≤ 53.54
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 2,6-dibromo-4-(difluoromethyl)pyridine?
The IUPAC name of 2,6-dibromo-4-(difluoromethyl)pyridine (CID 119006389) is 2,6-dibromo-4-(difluoromethyl)pyridine.
What is the SMILES notation for 2,6-dibromo-4-(difluoromethyl)pyridine?
The canonical SMILES for 2,6-dibromo-4-(difluoromethyl)pyridine is FC(F)c1cc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(difluoromethyl)pyridine?
The InChIKey is SUXPXTUYNMILLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F2N/c7-4-1-3(6(9)10)2-5(8)11-4/h1-2,6H.
What are the key properties of 2,6-dibromo-4-(difluoromethyl)pyridine?
2,6-dibromo-4-(difluoromethyl)pyridine has a molecular weight of 286.90 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(difluoromethyl)pyridine is sourced from PubChem (CID 119006389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).