2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

C14H11BrF3NO2 — CID 104801909

IUPAC2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11BrF3NO2/c15-10-5-9(7-19-8-10)6-12(20)11-3-1-2-4-13(11)21-14(16,17)18/h1-5,7-8,12,20H,6H2
InChIKeyMIRBIBGNTKIMDA-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.02
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 104801909) has the molecular formula C14H11BrF3NO2 and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID104801909
Molecular FormulaC14H11BrF3NO2
Molecular Weight362.15 g/mol
Exact Mass360.99
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11BrF3NO2/c15-10-5-9(7-19-8-10)6-12(20)11-3-1-2-4-13(11)21-14(16,17)18/h1-5,7-8,12,20H,6H2
InChIKeyMIRBIBGNTKIMDA-UHFFFAOYSA-N
XLogP4.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
CID 104801826
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
CID 113497399
3-pyridin-4-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-ol
CID 105092807
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 104801909) is 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is OC(Cc1cncc(Br)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is MIRBIBGNTKIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO2/c15-10-5-9(7-19-8-10)6-12(20)11-3-1-2-4-13(11)21-14(16,17)18/h1-5,7-8,12,20H,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 362.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 104801909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).