2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol

C15H15BrFNO — CID 105088408

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2cc(F)ccc2Br)c(C)n1
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-13(10(2)18-9)15(19)8-11-7-12(17)4-6-14(11)16/h3-7,15,19H,8H2,1-2H3
InChIKeyXWNRTZXDQXOYJX-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.88
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol (PubChem CID 105088408) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
PubChem CID105088408
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2cc(F)ccc2Br)c(C)n1
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-13(10(2)18-9)15(19)8-11-7-12(17)4-6-14(11)16/h3-7,15,19H,8H2,1-2H3
InChIKeyXWNRTZXDQXOYJX-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-difluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105089661
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 113451254
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 104504568
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105088376
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 65146117
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol (CID 105088408) is 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol is Cc1ccc(C(O)Cc2cc(F)ccc2Br)c(C)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol?
The InChIKey is XWNRTZXDQXOYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-5-13(10(2)18-9)15(19)8-11-7-12(17)4-6-14(11)16/h3-7,15,19H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol has a molecular weight of 324.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).