3-bromo-2-(trifluoromethyl)pyridine

C6H3BrF3N — CID 11368115

IUPAC3-bromo-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1Br
InChIInChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKeySMZAZDGFGOHROS-UHFFFAOYSA-N
MW226.00 g/mol
LogP2.86
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)pyridine

3-bromo-2-(trifluoromethyl)pyridine (PubChem CID 11368115) has the molecular formula C6H3BrF3N and a molecular weight of 226.00 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)pyridine
PubChem CID11368115
Molecular FormulaC6H3BrF3N
Molecular Weight226.00 g/mol
Exact Mass224.94
IUPAC Name3-bromo-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncccc1Br
InChIInChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKeySMZAZDGFGOHROS-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.00
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-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-bromo-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-(trifluoromethyl)pyridine (CID 11368115) is 3-bromo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)pyridine is FC(F)(F)c1ncccc1Br.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)pyridine?
The InChIKey is SMZAZDGFGOHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H.
What are the key properties of 3-bromo-2-(trifluoromethyl)pyridine?
3-bromo-2-(trifluoromethyl)pyridine has a molecular weight of 226.00 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 11368115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).