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

C5HBrClF3N2 — CID 11425490

IUPAC5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)ncc1Br
InChIInChI=1S/C5HBrClF3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKeyVTIPESROQQNDJL-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.91
Rot. Bonds

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

5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine (PubChem CID 11425490) has the molecular formula C5HBrClF3N2 and a molecular weight of 261.43 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine
PubChem CID11425490
Molecular FormulaC5HBrClF3N2
Molecular Weight261.43 g/mol
Exact Mass259.90
IUPAC Name5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)ncc1Br
InChIInChI=1S/C5HBrClF3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKeyVTIPESROQQNDJL-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine (CID 11425490) is 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine?
The InChIKey is VTIPESROQQNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClF3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H.
What are the key properties of 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine?
5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine has a molecular weight of 261.43 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11425490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).