4-bromo-2-(trifluoromethyl)pyrimidine

C5H2BrF3N2 — CID 53302344

IUPAC4-bromo-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(Br)n1
InChIInChI=1S/C5H2BrF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChIKeyRHJLTOVSJKKHLY-UHFFFAOYSA-N
MW226.98 g/mol
LogP2.26
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)pyrimidine

4-bromo-2-(trifluoromethyl)pyrimidine (PubChem CID 53302344) has the molecular formula C5H2BrF3N2 and a molecular weight of 226.98 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)pyrimidine
PubChem CID53302344
Molecular FormulaC5H2BrF3N2
Molecular Weight226.98 g/mol
Exact Mass225.94
IUPAC Name4-bromo-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(Br)n1
InChIInChI=1S/C5H2BrF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChIKeyRHJLTOVSJKKHLY-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 4-bromo-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-bromo-2-(trifluoromethyl)pyrimidine (CID 53302344) is 4-bromo-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(Br)n1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)pyrimidine?
The InChIKey is RHJLTOVSJKKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H.
What are the key properties of 4-bromo-2-(trifluoromethyl)pyrimidine?
4-bromo-2-(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 4-bromo-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 53302344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).