2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol

C13H10Br3NO — CID 107978662

IUPAC2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br3NO/c14-9-1-2-12(17-7-9)6-13(18)8-3-10(15)5-11(16)4-8/h1-5,7,13,18H,6H2
InChIKeyUGJVCHYZMWFCLC-UHFFFAOYSA-N
MW435.94 g/mol
LogP4.65
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol (PubChem CID 107978662) has the molecular formula C13H10Br3NO and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
PubChem CID107978662
Molecular FormulaC13H10Br3NO
Molecular Weight435.94 g/mol
Exact Mass432.83
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br3NO/c14-9-1-2-12(17-7-9)6-13(18)8-3-10(15)5-11(16)4-8/h1-5,7,13,18H,6H2
InChIKeyUGJVCHYZMWFCLC-UHFFFAOYSA-N
XLogP4.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107502739
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CID 107957878
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
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CID 104800394
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CID 104800583
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CID 107969876
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-5-yl)ethanol
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3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
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CID 63200943

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol (CID 107978662) is 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol is OC(Cc1ccc(Br)cn1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol?
The InChIKey is UGJVCHYZMWFCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO/c14-9-1-2-12(17-7-9)6-13(18)8-3-10(15)5-11(16)4-8/h1-5,7,13,18H,6H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol has a molecular weight of 435.94 g/mol, XLogP of 4.65, 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-(3,5-dibromophenyl)ethanol is sourced from PubChem (CID 107978662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).