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

C11H5BrClF3N2O — CID 64584499

IUPAC2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H5BrClF3N2O/c12-6-1-2-7(13)8(5-6)19-10-17-4-3-9(18-10)11(14,15)16/h1-5H
InChIKeyOAQFPKNZQDFTNJ-UHFFFAOYSA-N
MW353.53 g/mol
LogP4.70
Rot. Bonds2

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

2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 64584499) has the molecular formula C11H5BrClF3N2O and a molecular weight of 353.53 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID64584499
Molecular FormulaC11H5BrClF3N2O
Molecular Weight353.53 g/mol
Exact Mass351.92
IUPAC Name2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H5BrClF3N2O/c12-6-1-2-7(13)8(5-6)19-10-17-4-3-9(18-10)11(14,15)16/h1-5H
InChIKeyOAQFPKNZQDFTNJ-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine (CID 64584499) is 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is OAQFPKNZQDFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2O/c12-6-1-2-7(13)8(5-6)19-10-17-4-3-9(18-10)11(14,15)16/h1-5H.
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine?
2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 353.53 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64584499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).