2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol

C13H11BrFNO — CID 55096037

IUPAC2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cccnc1
InChIInChI=1S/C13H11BrFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8,13,17H,6H2
InChIKeyUKGUBNOHDCNPDL-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol

2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol (PubChem CID 55096037) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
PubChem CID55096037
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cccnc1
InChIInChI=1S/C13H11BrFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8,13,17H,6H2
InChIKeyUKGUBNOHDCNPDL-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-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924182
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol (CID 55096037) is 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol is OC(Cc1ccc(Br)cc1F)c1cccnc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol?
The InChIKey is UKGUBNOHDCNPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8,13,17H,6H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol?
2-(4-bromo-2-fluorophenyl)-1-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 2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 55096037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).