2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol

C11H8BrCl2NOS — CID 107969876

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8BrCl2NOS/c12-6-1-2-7(15-5-6)3-9(16)8-4-10(13)17-11(8)14/h1-2,4-5,9,16H,3H2
InChIKeyYLRSZIIGTJRSKL-UHFFFAOYSA-N
MW353.07 g/mol
LogP4.49
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (PubChem CID 107969876) has the molecular formula C11H8BrCl2NOS and a molecular weight of 353.07 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
PubChem CID107969876
Molecular FormulaC11H8BrCl2NOS
Molecular Weight353.07 g/mol
Exact Mass350.89
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8BrCl2NOS/c12-6-1-2-7(15-5-6)3-9(16)8-4-10(13)17-11(8)14/h1-2,4-5,9,16H,3H2
InChIKeyYLRSZIIGTJRSKL-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.07
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107967248
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-5-yl)ethanol
CID 104800447
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 104800488
1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol
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2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (CID 107969876) is 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is OC(Cc1ccc(Br)cn1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The InChIKey is YLRSZIIGTJRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NOS/c12-6-1-2-7(15-5-6)3-9(16)8-4-10(13)17-11(8)14/h1-2,4-5,9,16H,3H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol has a molecular weight of 353.07 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is sourced from PubChem (CID 107969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).