2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine

C12H7BrF3NO — CID 894509

IUPAC2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C12H7BrF3NO/c13-9-2-1-3-10(6-9)18-11-5-4-8(7-17-11)12(14,15)16/h1-7H
InChIKeyJGZOAYKPTNTADB-UHFFFAOYSA-N
MW318.09 g/mol
LogP4.66
Rot. Bonds2

About 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine

2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 894509) has the molecular formula C12H7BrF3NO and a molecular weight of 318.09 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine
PubChem CID894509
Molecular FormulaC12H7BrF3NO
Molecular Weight318.09 g/mol
Exact Mass316.97
IUPAC Name2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C12H7BrF3NO/c13-9-2-1-3-10(6-9)18-11-5-4-8(7-17-11)12(14,15)16/h1-7H
InChIKeyJGZOAYKPTNTADB-UHFFFAOYSA-N
XLogP4.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine (CID 894509) is 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is JGZOAYKPTNTADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO/c13-9-2-1-3-10(6-9)18-11-5-4-8(7-17-11)12(14,15)16/h1-7H.
What are the key properties of 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine?
2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 318.09 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).