2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

C12H13BrN2OS — CID 105090554

IUPAC2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cs2)c(C)nn1
InChIInChI=1S/C12H13BrN2OS/c1-7-3-11(8(2)15-14-7)12(16)5-10-4-9(13)6-17-10/h3-4,6,12,16H,5H2,1-2H3
InChIKeyYBPNEEHLPPBKSQ-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.19
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 105090554) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID105090554
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cs2)c(C)nn1
InChIInChI=1S/C12H13BrN2OS/c1-7-3-11(8(2)15-14-7)12(16)5-10-4-9(13)6-17-10/h3-4,6,12,16H,5H2,1-2H3
InChIKeyYBPNEEHLPPBKSQ-UHFFFAOYSA-N
XLogP3.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-1-ol
CID 58366224
(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
(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-(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
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-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105087415

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 105090554) is 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is Cc1cc(C(O)Cc2cc(Br)cs2)c(C)nn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is YBPNEEHLPPBKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-7-3-11(8(2)15-14-7)12(16)5-10-4-9(13)6-17-10/h3-4,6,12,16H,5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 313.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105090554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).