2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one

C12H10Cl2N2O3 — CID 86105894

IUPAC2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1OC
InChIInChI=1S/C12H10Cl2N2O3/c1-18-10-6-15-16(12(17)11(10)19-2)9-4-7(13)3-8(14)5-9/h3-6H,1-2H3
InChIKeyOYWKSTDBSQBVCJ-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.56
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one

2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one (PubChem CID 86105894) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
PubChem CID86105894
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1OC
InChIInChI=1S/C12H10Cl2N2O3/c1-18-10-6-15-16(12(17)11(10)19-2)9-4-7(13)3-8(14)5-9/h3-6H,1-2H3
InChIKeyOYWKSTDBSQBVCJ-UHFFFAOYSA-N
XLogP2.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-7,8-dimethoxyphthalazin-1-one
CID 17466640
2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one
CID 13370272
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
CID 142673833
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
2-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylsulfanylphenyl)-4-methoxypyridazin-3-one
CID 54304130
5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
CID 50904508
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372
5-chloro-2-(3,5-dichlorophenyl)-1,2,4-triazin-3-one
CID 15434936
4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
CID 117233278
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one (CID 86105894) is 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one is COc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1OC.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one?
The InChIKey is OYWKSTDBSQBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-18-10-6-15-16(12(17)11(10)19-2)9-4-7(13)3-8(14)5-9/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one?
2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one has a molecular weight of 301.13 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one is sourced from PubChem (CID 86105894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).