2-bromo-5-(trifluoromethoxy)pyrazine

C5H2BrF3N2O — CID 119020895

IUPAC2-bromo-5-(trifluoromethoxy)pyrazine
SMILESFC(F)(F)Oc1cnc(Br)cn1
InChIInChI=1S/C5H2BrF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H
InChIKeyCIBPJMXLXZEIPC-UHFFFAOYSA-N
MW242.98 g/mol
LogP2.14
Rot. Bonds1

About 2-bromo-5-(trifluoromethoxy)pyrazine

2-bromo-5-(trifluoromethoxy)pyrazine (PubChem CID 119020895) has the molecular formula C5H2BrF3N2O and a molecular weight of 242.98 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethoxy)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethoxy)pyrazine
PubChem CID119020895
Molecular FormulaC5H2BrF3N2O
Molecular Weight242.98 g/mol
Exact Mass241.93
IUPAC Name2-bromo-5-(trifluoromethoxy)pyrazine
SMILESFC(F)(F)Oc1cnc(Br)cn1
InChIInChI=1S/C5H2BrF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H
InChIKeyCIBPJMXLXZEIPC-UHFFFAOYSA-N
XLogP2.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.98
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(trifluoromethoxy)pyrazine 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 2-bromo-5-(trifluoromethoxy)pyrazine?
The IUPAC name of 2-bromo-5-(trifluoromethoxy)pyrazine (CID 119020895) is 2-bromo-5-(trifluoromethoxy)pyrazine.
What is the SMILES notation for 2-bromo-5-(trifluoromethoxy)pyrazine?
The canonical SMILES for 2-bromo-5-(trifluoromethoxy)pyrazine is FC(F)(F)Oc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(trifluoromethoxy)pyrazine?
The InChIKey is CIBPJMXLXZEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H.
What are the key properties of 2-bromo-5-(trifluoromethoxy)pyrazine?
2-bromo-5-(trifluoromethoxy)pyrazine has a molecular weight of 242.98 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethoxy)pyrazine is sourced from PubChem (CID 119020895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).