2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine

C10H11BrF3N — CID 149066453

IUPAC2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C10H11BrF3N/c1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7/h4-5H,1-3H3
InChIKeyQMYFRRPUIRTIIL-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.16
Rot. Bonds

About 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine

2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine (PubChem CID 149066453) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine
PubChem CID149066453
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C10H11BrF3N/c1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7/h4-5H,1-3H3
InChIKeyQMYFRRPUIRTIIL-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.16
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-6-tert-butyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine (CID 149066453) is 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)cc(Br)n1.
What is the InChIKey of 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine?
The InChIKey is QMYFRRPUIRTIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7/h4-5H,1-3H3.
What are the key properties of 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine?
2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine has a molecular weight of 282.10 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 149066453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).