2-(2-bromophenoxy)-1-pyridin-3-ylethanol

C13H12BrNO2 — CID 117241209

IUPAC2-(2-bromophenoxy)-1-pyridin-3-ylethanol
SMILESOC(COc1ccccc1Br)c1cccnc1
InChIInChI=1S/C13H12BrNO2/c14-11-5-1-2-6-13(11)17-9-12(16)10-4-3-7-15-8-10/h1-8,12,16H,9H2
InChIKeyFYNMBTHGURAWFV-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-bromophenoxy)-1-pyridin-3-ylethanol

2-(2-bromophenoxy)-1-pyridin-3-ylethanol (PubChem CID 117241209) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-pyridin-3-ylethanol
PubChem CID117241209
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name2-(2-bromophenoxy)-1-pyridin-3-ylethanol
SMILESOC(COc1ccccc1Br)c1cccnc1
InChIInChI=1S/C13H12BrNO2/c14-11-5-1-2-6-13(11)17-9-12(16)10-4-3-7-15-8-10/h1-8,12,16H,9H2
InChIKeyFYNMBTHGURAWFV-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-2-ylethanol
CID 117241374
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117241260
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
3-bromo-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 63050259
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(2-bromophenoxy)-1-pyridin-3-ylethanol (CID 117241209) is 2-(2-bromophenoxy)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(2-bromophenoxy)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(2-bromophenoxy)-1-pyridin-3-ylethanol is OC(COc1ccccc1Br)c1cccnc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-pyridin-3-ylethanol?
The InChIKey is FYNMBTHGURAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-11-5-1-2-6-13(11)17-9-12(16)10-4-3-7-15-8-10/h1-8,12,16H,9H2.
What are the key properties of 2-(2-bromophenoxy)-1-pyridin-3-ylethanol?
2-(2-bromophenoxy)-1-pyridin-3-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-3-ylethanol is sourced from PubChem (CID 117241209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).