2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one

C13H10Cl2N2O2 — CID 106548770

IUPAC2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-8-4-13(19)17(16-6-8)7-12(18)9-2-3-10(14)11(15)5-9/h2-6H,7H2,1H3
InChIKeySDLHNZURTVPQGX-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.74
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one

2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one (PubChem CID 106548770) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
PubChem CID106548770
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-8-4-13(19)17(16-6-8)7-12(18)9-2-3-10(14)11(15)5-9/h2-6H,7H2,1H3
InChIKeySDLHNZURTVPQGX-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548757
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
3-chloro-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548726
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 62130935
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 106548460
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019357
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922670
2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one (CID 106548770) is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one?
The InChIKey is SDLHNZURTVPQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-8-4-13(19)17(16-6-8)7-12(18)9-2-3-10(14)11(15)5-9/h2-6H,7H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one?
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one has a molecular weight of 297.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).