2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol

C10H9BrN2OS — CID 105087224

IUPAC2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1ccc(Br)s1)c1ccnnc1
InChIInChI=1S/C10H9BrN2OS/c11-10-2-1-8(15-10)5-9(14)7-3-4-12-13-6-7/h1-4,6,9,14H,5H2
InChIKeyPWQAGFIBUVFYDL-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.58
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol

2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol (PubChem CID 105087224) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
PubChem CID105087224
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1ccc(Br)s1)c1ccnnc1
InChIInChI=1S/C10H9BrN2OS/c11-10-2-1-8(15-10)5-9(14)7-3-4-12-13-6-7/h1-4,6,9,14H,5H2
InChIKeyPWQAGFIBUVFYDL-UHFFFAOYSA-N
XLogP2.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylthiophen-3-yl)-pyridazin-4-ylmethanol
CID 102842267
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898
2-(1-Benzothiophen-3-yl)-1-pyridazin-4-ylethanol
CID 105083241
1-Pyridazin-4-yl-2-thiophen-2-ylethanol
CID 105087131
1-(3,6-Dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087142
2-(5-Chlorothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087376
2-(5-Ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087604
1-(3,6-Dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087633
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087670
1-Pyridazin-4-yl-2-thiophen-3-ylethanol
CID 105089460
2-(4-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105090536
2-(4-Bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105090554

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol (CID 105087224) is 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol is OC(Cc1ccc(Br)s1)c1ccnnc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The InChIKey is PWQAGFIBUVFYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-10-2-1-8(15-10)5-9(14)7-3-4-12-13-6-7/h1-4,6,9,14H,5H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol has a molecular weight of 285.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105087224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).