1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol

C13H11BrFNO — CID 104736133

IUPAC1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H11BrFNO/c14-11-5-10(6-12(15)7-11)13(17)4-9-2-1-3-16-8-9/h1-3,5-8,13,17H,4H2
InChIKeyGLQZKDQYWIXAAY-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.26
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol

1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol (PubChem CID 104736133) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
PubChem CID104736133
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H11BrFNO/c14-11-5-10(6-12(15)7-11)13(17)4-9-2-1-3-16-8-9/h1-3,5-8,13,17H,4H2
InChIKeyGLQZKDQYWIXAAY-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735851
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol (CID 104736133) is 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol?
The InChIKey is GLQZKDQYWIXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-11-5-10(6-12(15)7-11)13(17)4-9-2-1-3-16-8-9/h1-3,5-8,13,17H,4H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol?
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol has a molecular weight of 296.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 104736133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).