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

C7H2BrClF5N — CID 118806264

IUPAC4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)c(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H2BrClF5N/c8-2-1-3(6(10)11)15-5(9)4(2)7(12,13)14/h1,6H
InChIKeyXPGHNCMBIRXXRC-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.45
Rot. Bonds1

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

4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 118806264) has the molecular formula C7H2BrClF5N and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID118806264
Molecular FormulaC7H2BrClF5N
Molecular Weight310.45 g/mol
Exact Mass308.90
IUPAC Name4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)c(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H2BrClF5N/c8-2-1-3(6(10)11)15-5(9)4(2)7(12,13)14/h1,6H
InChIKeyXPGHNCMBIRXXRC-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.45
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 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 118806264) is 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1cc(Br)c(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is XPGHNCMBIRXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF5N/c8-2-1-3(6(10)11)15-5(9)4(2)7(12,13)14/h1,6H.
What are the key properties of 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine has a molecular weight of 310.45 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118806264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).