2-(2-bromophenoxy)-1-pyridin-2-ylethanol

C13H12BrNO2 — CID 117241374

IUPAC2-(2-bromophenoxy)-1-pyridin-2-ylethanol
SMILESOC(COc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H12BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8,12,16H,9H2
InChIKeyHLQZEKJESCHMFZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-bromophenoxy)-1-pyridin-2-ylethanol

2-(2-bromophenoxy)-1-pyridin-2-ylethanol (PubChem CID 117241374) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-pyridin-2-ylethanol
PubChem CID117241374
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name2-(2-bromophenoxy)-1-pyridin-2-ylethanol
SMILESOC(COc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H12BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8,12,16H,9H2
InChIKeyHLQZEKJESCHMFZ-UHFFFAOYSA-N
XLogP2.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-1-pyridin-3-ylethanol
CID 117241209
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol
CID 14500432
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
CID 14500433
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-pyridin-2-ylethanol?
The IUPAC name of 2-(2-bromophenoxy)-1-pyridin-2-ylethanol (CID 117241374) is 2-(2-bromophenoxy)-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-(2-bromophenoxy)-1-pyridin-2-ylethanol?
The canonical SMILES for 2-(2-bromophenoxy)-1-pyridin-2-ylethanol is OC(COc1ccccc1Br)c1ccccn1.
What is the InChIKey of 2-(2-bromophenoxy)-1-pyridin-2-ylethanol?
The InChIKey is HLQZEKJESCHMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8,12,16H,9H2.
What are the key properties of 2-(2-bromophenoxy)-1-pyridin-2-ylethanol?
2-(2-bromophenoxy)-1-pyridin-2-ylethanol has a molecular weight of 294.15 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-pyridin-2-ylethanol is sourced from PubChem (CID 117241374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).