2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol

C11H8BrCl2NOS — CID 79780520

IUPAC2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H8BrCl2NOS/c12-10-2-1-7(17-10)4-9(16)11-8(14)3-6(13)5-15-11/h1-3,5,9,16H,4H2
InChIKeyPATVQTIHNHCNIX-UHFFFAOYSA-N
MW353.07 g/mol
LogP4.49
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol

2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol (PubChem CID 79780520) has the molecular formula C11H8BrCl2NOS and a molecular weight of 353.07 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
PubChem CID79780520
Molecular FormulaC11H8BrCl2NOS
Molecular Weight353.07 g/mol
Exact Mass350.89
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H8BrCl2NOS/c12-10-2-1-7(17-10)4-9(16)11-8(14)3-6(13)5-15-11/h1-3,5,9,16H,4H2
InChIKeyPATVQTIHNHCNIX-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

2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712943
[2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295646
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol (CID 79780520) is 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol is OC(Cc1ccc(Br)s1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The InChIKey is PATVQTIHNHCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NOS/c12-10-2-1-7(17-10)4-9(16)11-8(14)3-6(13)5-15-11/h1-3,5,9,16H,4H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)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-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 79780520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).