2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

C14H10BrF4NO — CID 105082327

IUPAC2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10BrF4NO/c15-10-5-8(1-3-11(10)16)6-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-5,7,13,21H,6H2
InChIKeyJCAOCINVQPUXCZ-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.28
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 105082327) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID105082327
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H10BrF4NO/c15-10-5-8(1-3-11(10)16)6-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-5,7,13,21H,6H2
InChIKeyJCAOCINVQPUXCZ-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-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63841370
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
CID 114012664
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (CID 105082327) is 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is OC(Cc1ccc(F)c(Br)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is JCAOCINVQPUXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-10-5-8(1-3-11(10)16)6-13(21)12-4-2-9(7-20-12)14(17,18)19/h1-5,7,13,21H,6H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
2-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 105082327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).