2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine

C10H11BrF3N — CID 66330684

IUPAC2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
SMILESCC(Br)C(C)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H11BrF3N/c1-6(7(2)11)9-5-8(3-4-15-9)10(12,13)14/h3-7H,1-2H3
InChIKeyPFICZUNPFZUCBN-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.99
Rot. Bonds2

About 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine

2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine (PubChem CID 66330684) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
PubChem CID66330684
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
SMILESCC(Br)C(C)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H11BrF3N/c1-6(7(2)11)9-5-8(3-4-15-9)10(12,13)14/h3-7H,1-2H3
InChIKeyPFICZUNPFZUCBN-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine (CID 66330684) is 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine is CC(Br)C(C)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is PFICZUNPFZUCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6(7(2)11)9-5-8(3-4-15-9)10(12,13)14/h3-7H,1-2H3.
What are the key properties of 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine?
2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 282.10 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 66330684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).