2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine

C7H2BrF6N — CID 130109578

IUPAC2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)F)c(C(F)(F)F)c(Br)n1
InChIInChI=1S/C7H2BrF6N/c8-5-4(7(12,13)14)2(6(10)11)1-3(9)15-5/h1,6H
InChIKeyUUDXNKMUAUSAFJ-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.94
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine

2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 130109578) has the molecular formula C7H2BrF6N and a molecular weight of 293.99 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
PubChem CID130109578
Molecular FormulaC7H2BrF6N
Molecular Weight293.99 g/mol
Exact Mass292.93
IUPAC Name2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)F)c(C(F)(F)F)c(Br)n1
InChIInChI=1S/C7H2BrF6N/c8-5-4(7(12,13)14)2(6(10)11)1-3(9)15-5/h1,6H
InChIKeyUUDXNKMUAUSAFJ-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.94
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-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine (CID 130109578) is 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine is Fc1cc(C(F)F)c(C(F)(F)F)c(Br)n1.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is UUDXNKMUAUSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF6N/c8-5-4(7(12,13)14)2(6(10)11)1-3(9)15-5/h1,6H.
What are the key properties of 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine?
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 293.99 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).