2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol

C10H9BrN2OS — CID 105090897

IUPAC2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1sccc1Br)c1ccnnc1
InChIInChI=1S/C10H9BrN2OS/c11-8-2-4-15-10(8)5-9(14)7-1-3-12-13-6-7/h1-4,6,9,14H,5H2
InChIKeyAVIACPXGHBPIAB-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol

2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol (PubChem CID 105090897) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
PubChem CID105090897
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1sccc1Br)c1ccnnc1
InChIInChI=1S/C10H9BrN2OS/c11-8-2-4-15-10(8)5-9(14)7-1-3-12-13-6-7/h1-4,6,9,14H,5H2
InChIKeyAVIACPXGHBPIAB-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
(3-Ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842438
(3,6-Dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842472
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
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
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087154
2-(5-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087224
2-(5-Chlorothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087376

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol (CID 105090897) is 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol is OC(Cc1sccc1Br)c1ccnnc1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
The InChIKey is AVIACPXGHBPIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-2-4-15-10(8)5-9(14)7-1-3-12-13-6-7/h1-4,6,9,14H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol?
2-(3-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-(3-bromothiophen-2-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).