2,4-dibromo-6-(trifluoromethyl)pyrimidine

C5HBr2F3N2 — CID 11438181

IUPAC2,4-dibromo-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Br)nc(Br)n1
InChIInChI=1S/C5HBr2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
InChIKeyQTAAFIZVUMZSPW-UHFFFAOYSA-N
MW305.88 g/mol
LogP3.02
Rot. Bonds

About 2,4-dibromo-6-(trifluoromethyl)pyrimidine

2,4-dibromo-6-(trifluoromethyl)pyrimidine (PubChem CID 11438181) has the molecular formula C5HBr2F3N2 and a molecular weight of 305.88 g/mol. Its IUPAC name is 2,4-dibromo-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dibromo-6-(trifluoromethyl)pyrimidine
PubChem CID11438181
Molecular FormulaC5HBr2F3N2
Molecular Weight305.88 g/mol
Exact Mass303.85
IUPAC Name2,4-dibromo-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Br)nc(Br)n1
InChIInChI=1S/C5HBr2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
InChIKeyQTAAFIZVUMZSPW-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4-dibromo-6-(trifluoromethyl)pyrimidine (CID 11438181) is 2,4-dibromo-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4-dibromo-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4-dibromo-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Br)nc(Br)n1.
What is the InChIKey of 2,4-dibromo-6-(trifluoromethyl)pyrimidine?
The InChIKey is QTAAFIZVUMZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H.
What are the key properties of 2,4-dibromo-6-(trifluoromethyl)pyrimidine?
2,4-dibromo-6-(trifluoromethyl)pyrimidine has a molecular weight of 305.88 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11438181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).