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

C14H12N2OS — CID 105083241

IUPAC2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1csc2ccccc12)c1ccnnc1
InChIInChI=1S/C14H12N2OS/c17-13(10-5-6-15-16-8-10)7-11-9-18-14-4-2-1-3-12(11)14/h1-6,8-9,13,17H,7H2
InChIKeyLOVXPSSPVOXLCJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.97
Rot. Bonds3

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

2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol (PubChem CID 105083241) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol
PubChem CID105083241
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1csc2ccccc12)c1ccnnc1
InChIInChI=1S/C14H12N2OS/c17-13(10-5-6-15-16-8-10)7-11-9-18-14-4-2-1-3-12(11)14/h1-6,8-9,13,17H,7H2
InChIKeyLOVXPSSPVOXLCJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.97
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-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267
2-(1-Benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105083291
1-Pyridazin-4-yl-2-thiophen-2-ylethanol
CID 105087131
2-(5-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087224
2-(5-Chlorothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087376
2-(5-Ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087604
1-Pyridazin-4-yl-2-thiophen-3-ylethanol
CID 105089460
2-(4-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105090536
2-(3-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105090897
1-Pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol
CID 105097821

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol (CID 105083241) is 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol is OC(Cc1csc2ccccc12)c1ccnnc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol?
The InChIKey is LOVXPSSPVOXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13(10-5-6-15-16-8-10)7-11-9-18-14-4-2-1-3-12(11)14/h1-6,8-9,13,17H,7H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol?
2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol has a molecular weight of 256.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105083241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).