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

C14H10Br2F3NO — CID 115833331

IUPAC2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3NO/c15-10-3-8(6-20-7-10)4-13(21)9-1-2-12(16)11(5-9)14(17,18)19/h1-3,5-7,13,21H,4H2
InChIKeyMPMYIFVRVQLQJK-UHFFFAOYSA-N
MW425.04 g/mol
LogP4.90
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 115833331) has the molecular formula C14H10Br2F3NO and a molecular weight of 425.04 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
PubChem CID115833331
Molecular FormulaC14H10Br2F3NO
Molecular Weight425.04 g/mol
Exact Mass422.91
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3NO/c15-10-3-8(6-20-7-10)4-13(21)9-1-2-12(16)11(5-9)14(17,18)19/h1-3,5-7,13,21H,4H2
InChIKeyMPMYIFVRVQLQJK-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.04
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
CID 174048697
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
CID 115833386
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol (CID 115833331) is 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol is OC(Cc1cncc(Br)c1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MPMYIFVRVQLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3NO/c15-10-3-8(6-20-7-10)4-13(21)9-1-2-12(16)11(5-9)14(17,18)19/h1-3,5-7,13,21H,4H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol?
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 425.04 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115833331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).