4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine

C10H11BrF3N — CID 172992270

IUPAC4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine
SMILESCCC(C)c1cc(Br)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11BrF3N/c1-3-6(2)8-4-7(11)5-9(15-8)10(12,13)14/h4-6H,3H2,1-2H3
InChIKeySRUHAQSVUVMZKG-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.38
Rot. Bonds2

About 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine

4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 172992270) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID172992270
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine
SMILESCCC(C)c1cc(Br)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11BrF3N/c1-3-6(2)8-4-7(11)5-9(15-8)10(12,13)14/h4-6H,3H2,1-2H3
InChIKeySRUHAQSVUVMZKG-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine (CID 172992270) is 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine is CCC(C)c1cc(Br)cc(C(F)(F)F)n1.
What is the InChIKey of 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is SRUHAQSVUVMZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-3-6(2)8-4-7(11)5-9(15-8)10(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine?
4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 282.10 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 172992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).