2,4,6-tribromo-5-(trifluoromethyl)pyrimidine

C5Br3F3N2 — CID 134914841

IUPAC2,4,6-tribromo-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1c(Br)nc(Br)nc1Br
InChIInChI=1S/C5Br3F3N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2
InChIKeyIXGAOZHAORSEIR-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.78
Rot. Bonds

About 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine

2,4,6-tribromo-5-(trifluoromethyl)pyrimidine (PubChem CID 134914841) has the molecular formula C5Br3F3N2 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-tribromo-5-(trifluoromethyl)pyrimidine
PubChem CID134914841
Molecular FormulaC5Br3F3N2
Molecular Weight384.78 g/mol
Exact Mass381.76
IUPAC Name2,4,6-tribromo-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1c(Br)nc(Br)nc1Br
InChIInChI=1S/C5Br3F3N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2
InChIKeyIXGAOZHAORSEIR-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine (CID 134914841) is 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1c(Br)nc(Br)nc1Br.
What is the InChIKey of 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine?
The InChIKey is IXGAOZHAORSEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Br3F3N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2.
What are the key properties of 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine?
2,4,6-tribromo-5-(trifluoromethyl)pyrimidine has a molecular weight of 384.78 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134914841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).