2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

C13H15ClN2OS — CID 105087415

IUPAC2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-3-11-10(6-8(2)15-16-11)12(17)7-9-4-5-13(14)18-9/h4-6,12,17H,3,7H2,1-2H3
InChIKeyCFBRSEXPSXZSFI-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.34
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 105087415) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID105087415
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-3-11-10(6-8(2)15-16-11)12(17)7-9-4-5-13(14)18-9/h4-6,12,17H,3,7H2,1-2H3
InChIKeyCFBRSEXPSXZSFI-UHFFFAOYSA-N
XLogP3.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[4-[(6-Chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol
CID 104514411
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
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-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-(3,6-Dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 105087415) is 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is CFBRSEXPSXZSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-3-11-10(6-8(2)15-16-11)12(17)7-9-4-5-13(14)18-9/h4-6,12,17H,3,7H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol has a molecular weight of 282.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).