5-bromo-4-(trifluoromethyl)pyrimidine

C5H2BrF3N2 — CID 11160494

IUPAC5-bromo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncncc1Br
InChIInChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
InChIKeyXQBMNXRFVINPTJ-UHFFFAOYSA-N
MW226.98 g/mol
LogP2.26
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)pyrimidine

5-bromo-4-(trifluoromethyl)pyrimidine (PubChem CID 11160494) has the molecular formula C5H2BrF3N2 and a molecular weight of 226.98 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyrimidine
PubChem CID11160494
Molecular FormulaC5H2BrF3N2
Molecular Weight226.98 g/mol
Exact Mass225.94
IUPAC Name5-bromo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncncc1Br
InChIInChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
InChIKeyXQBMNXRFVINPTJ-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.98
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-(trifluoromethyl)pyrimidine 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-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyrimidine (CID 11160494) is 5-bromo-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncncc1Br.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyrimidine?
The InChIKey is XQBMNXRFVINPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H.
What are the key properties of 5-bromo-4-(trifluoromethyl)pyrimidine?
5-bromo-4-(trifluoromethyl)pyrimidine has a molecular weight of 226.98 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11160494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).