2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C17H15ClN2O2S — CID 111476721

IUPAC2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(O)c3cccc(Cl)c3)n2)s1
InChIInChI=1S/C17H15ClN2O2S/c1-11-5-7-16(23-11)14-6-8-17(22)20(19-14)10-15(21)12-3-2-4-13(18)9-12/h2-9,15,21H,10H2,1H3
InChIKeyOOIRDFCJGYDDPU-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.67
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 111476721) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID111476721
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(O)c3cccc(Cl)c3)n2)s1
InChIInChI=1S/C17H15ClN2O2S/c1-11-5-7-16(23-11)14-6-8-17(22)20(19-14)10-15(21)12-3-2-4-13(18)9-12/h2-9,15,21H,10H2,1H3
InChIKeyOOIRDFCJGYDDPU-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 111476768
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-5,6-diethyl-3-oxopyridazine-4-carbonitrile
CID 111476783
2-[2-hydroxy-2-(3-nitrophenyl)ethyl]-6-methylpyridazin-3-one
CID 84591304
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969239
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 94744429
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-methyl-5-nitropyridin-2-one
CID 97067489
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 23612563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 111476721) is 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(O)c3cccc(Cl)c3)n2)s1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is OOIRDFCJGYDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11-5-7-16(23-11)14-6-8-17(22)20(19-14)10-15(21)12-3-2-4-13(18)9-12/h2-9,15,21H,10H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 346.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 111476721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).