2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

C12H9BrF3NOS — CID 105087304

IUPAC2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9BrF3NOS/c13-11-4-2-8(19-11)5-10(18)9-3-1-7(6-17-9)12(14,15)16/h1-4,6,10,18H,5H2
InChIKeyLOHNKDLJPOGBRO-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.20
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 105087304) has the molecular formula C12H9BrF3NOS and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID105087304
Molecular FormulaC12H9BrF3NOS
Molecular Weight352.18 g/mol
Exact Mass350.95
IUPAC Name2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H9BrF3NOS/c13-11-4-2-8(19-11)5-10(18)9-3-1-7(6-17-9)12(14,15)16/h1-4,6,10,18H,5H2
InChIKeyLOHNKDLJPOGBRO-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105082327
2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
2-(2-methyltetrazol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 107065711
1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62116122
[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105120475
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (CID 105087304) is 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is OC(Cc1ccc(Br)s1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is LOHNKDLJPOGBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NOS/c13-11-4-2-8(19-11)5-10(18)9-3-1-7(6-17-9)12(14,15)16/h1-4,6,10,18H,5H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 352.18 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 105087304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).