3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine

C10H9BrF3N — CID 170497810

IUPAC3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1C=CCCBr
InChIInChI=1S/C10H9BrF3N/c11-6-2-1-4-8-5-3-7-15-9(8)10(12,13)14/h1,3-5,7H,2,6H2
InChIKeyPZYJVHMWTCBMOE-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.90
Rot. Bonds3

About 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine

3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine (PubChem CID 170497810) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine
PubChem CID170497810
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1C=CCCBr
InChIInChI=1S/C10H9BrF3N/c11-6-2-1-4-8-5-3-7-15-9(8)10(12,13)14/h1,3-5,7H,2,6H2
InChIKeyPZYJVHMWTCBMOE-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine (CID 170497810) is 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ncccc1C=CCCBr.
What is the InChIKey of 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine?
The InChIKey is PZYJVHMWTCBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-6-2-1-4-8-5-3-7-15-9(8)10(12,13)14/h1,3-5,7H,2,6H2.
What are the key properties of 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine?
3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine has a molecular weight of 280.09 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromobut-1-enyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 170497810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).