2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C13H11BrFNO — CID 79721739

IUPAC2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11BrFNO/c14-10-3-1-2-9(6-10)7-13(17)12-5-4-11(15)8-16-12/h1-6,8,13,17H,7H2
InChIKeyUZEDLJNIJHQUKY-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 79721739) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID79721739
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C13H11BrFNO/c14-10-3-1-2-9(6-10)7-13(17)12-5-4-11(15)8-16-12/h1-6,8,13,17H,7H2
InChIKeyUZEDLJNIJHQUKY-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

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 55135398
2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 112653500
(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 79721739) is 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1cccc(Br)c1)c1ccc(F)cn1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is UZEDLJNIJHQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-10-3-1-2-9(6-10)7-13(17)12-5-4-11(15)8-16-12/h1-6,8,13,17H,7H2.
What are the key properties of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol 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 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 79721739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).