2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol

C11H11BrN2O2S — CID 103373603

IUPAC2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Br)cs2)nn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-3-2-9(13-14-11)10(15)5-8-4-7(12)6-17-8/h2-4,6,10,15H,5H2,1H3
InChIKeyJWFIFZLCKNGMKG-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373603) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373603
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Br)cs2)nn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-3-2-9(13-14-11)10(15)5-8-4-7(12)6-17-8/h2-4,6,10,15H,5H2,1H3
InChIKeyJWFIFZLCKNGMKG-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

3-Methoxy-6-(thiophen-2-yl)pyridazine
CID 9990145
[6-(Thiophen-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61523818
[6-(2-Thiophen-2-ylethoxy)pyridazin-3-yl]methanol
CID 61523939
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
(6-Methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103373441
2-(5-Ethylthiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373458
1-(6-Methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
CID 103373460
(5-Chlorothiophen-2-yl)-(6-methoxypyridazin-3-yl)methanol
CID 103373480
(4-Bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methanol
CID 103373498
(6-Methoxypyridazin-3-yl)-thiophen-2-ylmethanol
CID 103373524
1-(6-Methoxypyridazin-3-yl)-2-thiophen-2-ylethanol
CID 103373531
1-(6-Methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 103373558

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373603) is 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2cc(Br)cs2)nn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is JWFIFZLCKNGMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-16-11-3-2-9(13-14-11)10(15)5-8-4-7(12)6-17-8/h2-4,6,10,15H,5H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(4-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-(4-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).