4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine

C12H7BrClF3N2O — CID 114562131

IUPAC4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCc2ccccc2Br)nc(Cl)n1
InChIInChI=1S/C12H7BrClF3N2O/c13-8-4-2-1-3-7(8)6-20-10-5-9(12(15,16)17)18-11(14)19-10/h1-5H,6H2
InChIKeyIDWLBPDJBQJODM-UHFFFAOYSA-N
MW367.55 g/mol
LogP4.49
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine

4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 114562131) has the molecular formula C12H7BrClF3N2O and a molecular weight of 367.55 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID114562131
Molecular FormulaC12H7BrClF3N2O
Molecular Weight367.55 g/mol
Exact Mass365.94
IUPAC Name4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCc2ccccc2Br)nc(Cl)n1
InChIInChI=1S/C12H7BrClF3N2O/c13-8-4-2-1-3-7(8)6-20-10-5-9(12(15,16)17)18-11(14)19-10/h1-5H,6H2
InChIKeyIDWLBPDJBQJODM-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine (CID 114562131) is 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OCc2ccccc2Br)nc(Cl)n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is IDWLBPDJBQJODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O/c13-8-4-2-1-3-7(8)6-20-10-5-9(12(15,16)17)18-11(14)19-10/h1-5H,6H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine?
4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 367.55 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).