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

C12H6BrClF3NO — CID 1313785

IUPAC2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C12H6BrClF3NO/c13-9-5-8(14)2-3-10(9)19-11-4-1-7(6-18-11)12(15,16)17/h1-6H
InChIKeyVVEINCRMDZUXCG-UHFFFAOYSA-N
MW352.54 g/mol
LogP5.31
Rot. Bonds2

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

2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 1313785) has the molecular formula C12H6BrClF3NO and a molecular weight of 352.54 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine
PubChem CID1313785
Molecular FormulaC12H6BrClF3NO
Molecular Weight352.54 g/mol
Exact Mass350.93
IUPAC Name2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C12H6BrClF3NO/c13-9-5-8(14)2-3-10(9)19-11-4-1-7(6-18-11)12(15,16)17/h1-6H
InChIKeyVVEINCRMDZUXCG-UHFFFAOYSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine (CID 1313785) is 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is VVEINCRMDZUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO/c13-9-5-8(14)2-3-10(9)19-11-4-1-7(6-18-11)12(15,16)17/h1-6H.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine?
2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 352.54 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1313785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).