2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine

C15H10BrF6NO2 — CID 166085643

IUPAC2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine
SMILESFC(F)(F)c1cc(OCCOc2ccc(Br)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF6NO2/c16-11-1-2-13(23-8-11)25-4-3-24-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-2,5-8H,3-4H2
InChIKeyXKINKJJNAJTARO-UHFFFAOYSA-N
MW430.14 g/mol
LogP5.34
Rot. Bonds5

About 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine

2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine (PubChem CID 166085643) has the molecular formula C15H10BrF6NO2 and a molecular weight of 430.14 g/mol. Its IUPAC name is 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine
PubChem CID166085643
Molecular FormulaC15H10BrF6NO2
Molecular Weight430.14 g/mol
Exact Mass428.98
IUPAC Name2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine
SMILESFC(F)(F)c1cc(OCCOc2ccc(Br)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF6NO2/c16-11-1-2-13(23-8-11)25-4-3-24-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-2,5-8H,3-4H2
InChIKeyXKINKJJNAJTARO-UHFFFAOYSA-N
XLogP5.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.14
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
CID 161432610
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
5-bromo-2-(3-methylsulfonylpropoxy)pyridine
CID 119086341
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine?
The IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine (CID 166085643) is 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine.
What is the SMILES notation for 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine?
The canonical SMILES for 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine is FC(F)(F)c1cc(OCCOc2ccc(Br)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine?
The InChIKey is XKINKJJNAJTARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF6NO2/c16-11-1-2-13(23-8-11)25-4-3-24-12-6-9(14(17,18)19)5-10(7-12)15(20,21)22/h1-2,5-8H,3-4H2.
What are the key properties of 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine?
2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine has a molecular weight of 430.14 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(trifluoromethyl)phenoxy]ethoxy]-5-bromopyridine is sourced from PubChem (CID 166085643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).