2-bromo-4-(trifluoromethyl)pyrimidine

C5H2BrF3N2 — CID 11436086

IUPAC2-bromo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Br)n1
InChIInChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChIKeyRHCZXIKKGYOYQZ-UHFFFAOYSA-N
MW226.98 g/mol
LogP2.26
Rot. Bonds

About 2-bromo-4-(trifluoromethyl)pyrimidine

2-bromo-4-(trifluoromethyl)pyrimidine (PubChem CID 11436086) has the molecular formula C5H2BrF3N2 and a molecular weight of 226.98 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyrimidine
PubChem CID11436086
Molecular FormulaC5H2BrF3N2
Molecular Weight226.98 g/mol
Exact Mass225.94
IUPAC Name2-bromo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Br)n1
InChIInChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChIKeyRHCZXIKKGYOYQZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine (CID 11436086) is 2-bromo-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Br)n1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyrimidine?
The InChIKey is RHCZXIKKGYOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H.
What are the key properties of 2-bromo-4-(trifluoromethyl)pyrimidine?
2-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 2-bromo-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11436086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).