2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

C14H10BrF4NO — CID 105089225

IUPAC2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10BrF4NO/c15-10-3-1-8(11(16)6-10)5-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-4,6-7,13,21H,5H2
InChIKeyBJSOSQFLMYBTCL-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 105089225) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID105089225
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10BrF4NO/c15-10-3-1-8(11(16)6-10)5-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-4,6-7,13,21H,5H2
InChIKeyBJSOSQFLMYBTCL-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105082327
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 60639194
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (CID 105089225) is 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is OC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is BJSOSQFLMYBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-10-3-1-8(11(16)6-10)5-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-4,6-7,13,21H,5H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 364.14 g/mol, XLogP of 4.28, 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-[5-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 105089225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).