5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine

C5HBrF3IN2 — CID 121232215

IUPAC5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(I)ncc1Br
InChIInChI=1S/C5HBrF3IN2/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H
InChIKeyTZSYMGTYNWYVDP-UHFFFAOYSA-N
MW352.88 g/mol
LogP2.86
Rot. Bonds

About 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine

5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine (PubChem CID 121232215) has the molecular formula C5HBrF3IN2 and a molecular weight of 352.88 g/mol. Its IUPAC name is 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine
PubChem CID121232215
Molecular FormulaC5HBrF3IN2
Molecular Weight352.88 g/mol
Exact Mass351.83
IUPAC Name5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(I)ncc1Br
InChIInChI=1S/C5HBrF3IN2/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H
InChIKeyTZSYMGTYNWYVDP-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-iodo-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-2-iodo-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine (CID 121232215) is 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(I)ncc1Br.
What is the InChIKey of 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine?
The InChIKey is TZSYMGTYNWYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrF3IN2/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H.
What are the key properties of 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine?
5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine has a molecular weight of 352.88 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 121232215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).