5-bromo-2-methoxy-3-(trifluoromethyl)pyridine

C7H5BrF3NO — CID 53393182

IUPAC5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
InChIKeyZIOFHXRZJCIBCO-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.87
Rot. Bonds1

About 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine

5-bromo-2-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 53393182) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
PubChem CID53393182
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
InChIKeyZIOFHXRZJCIBCO-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methoxy-3-(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 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine (CID 53393182) is 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine is COc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is ZIOFHXRZJCIBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3.
What are the key properties of 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine?
5-bromo-2-methoxy-3-(trifluoromethyl)pyridine has a molecular weight of 256.02 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 53393182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).