2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol

C11H11BrN2O2S — CID 103373642

IUPAC2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2sccc2Br)nn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-3-2-8(13-14-11)9(15)6-10-7(12)4-5-17-10/h2-5,9,15H,6H2,1H3
InChIKeyQYRYRQPUOJATRY-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.59
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373642) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373642
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2sccc2Br)nn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-3-2-8(13-14-11)9(15)6-10-7(12)4-5-17-10/h2-5,9,15H,6H2,1H3
InChIKeyQYRYRQPUOJATRY-UHFFFAOYSA-N
XLogP2.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373598
2-(2,6-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373585
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
CID 114209890
1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373642) is 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2sccc2Br)nn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is QYRYRQPUOJATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-16-11-3-2-8(13-14-11)9(15)6-10-7(12)4-5-17-10/h2-5,9,15H,6H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 315.19 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).