2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol

C13H8Br3F2NO — CID 106265600

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc(Br)cc1Br
InChIInChI=1S/C13H8Br3F2NO/c14-6-3-9(16)13(19-5-6)11(20)4-7-10(17)2-1-8(15)12(7)18/h1-3,5,11,20H,4H2
InChIKeyORRYUIBXGVJWFZ-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.92
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol (PubChem CID 106265600) has the molecular formula C13H8Br3F2NO and a molecular weight of 471.92 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
PubChem CID106265600
Molecular FormulaC13H8Br3F2NO
Molecular Weight471.92 g/mol
Exact Mass468.81
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc(Br)cc1Br
InChIInChI=1S/C13H8Br3F2NO/c14-6-3-9(16)13(19-5-6)11(20)4-7-10(17)2-1-8(15)12(7)18/h1-3,5,11,20H,4H2
InChIKeyORRYUIBXGVJWFZ-UHFFFAOYSA-N
XLogP4.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 114852697
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735851
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol (CID 106265600) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol is OC(Cc1c(F)ccc(Br)c1F)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
The InChIKey is ORRYUIBXGVJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3F2NO/c14-6-3-9(16)13(19-5-6)11(20)4-7-10(17)2-1-8(15)12(7)18/h1-3,5,11,20H,4H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol has a molecular weight of 471.92 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol is sourced from PubChem (CID 106265600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).