2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol

C14H10BrF4NO — CID 104800488

IUPAC2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H10BrF4NO/c15-8-1-3-10(20-7-8)6-13(21)11-5-9(16)2-4-12(11)14(17,18)19/h1-5,7,13,21H,6H2
InChIKeyNTABBHUUGBARIB-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol

2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol (PubChem CID 104800488) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
PubChem CID104800488
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H10BrF4NO/c15-8-1-3-10(20-7-8)6-13(21)11-5-9(16)2-4-12(11)14(17,18)19/h1-5,7,13,21H,6H2
InChIKeyNTABBHUUGBARIB-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

(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83175379
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
CID 114473996
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol (CID 104800488) is 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(Br)cn1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is NTABBHUUGBARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-8-1-3-10(20-7-8)6-13(21)11-5-9(16)2-4-12(11)14(17,18)19/h1-5,7,13,21H,6H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol?
2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]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-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 104800488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).