1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol

C13H11BrFNO2 — CID 83125031

IUPAC1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H11BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(15)6-11(13)14/h2-8,17H,1H3
InChIKeyZCEODLSTDRMHFT-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.83
Rot. Bonds3

About 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol

1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125031) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
PubChem CID83125031
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H11BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(15)6-11(13)14/h2-8,17H,1H3
InChIKeyZCEODLSTDRMHFT-UHFFFAOYSA-N
XLogP3.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol (CID 83125031) is 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol is CC(O)c1ccc(Oc2ccc(F)cc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol?
The InChIKey is ZCEODLSTDRMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(15)6-11(13)14/h2-8,17H,1H3.
What are the key properties of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol?
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol has a molecular weight of 312.14 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).