2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C12H8Cl2N2O3 — CID 62019357

IUPAC2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-8-2-1-7(5-9(8)14)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18)
InChIKeyNMBNLSYVDOZITC-UHFFFAOYSA-N
MW299.11 g/mol
LogP1.73
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62019357) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62019357
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-8-2-1-7(5-9(8)14)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18)
InChIKeyNMBNLSYVDOZITC-UHFFFAOYSA-N
XLogP1.73
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019528
2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019352
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
3,4-dichloro-N-[2-[[3-(3,6-dioxo-1H-pyridazin-2-yl)benzoyl]amino]ethyl]benzamide
CID 86873544
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
5-bromo-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63777443
1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 10038017
4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64693041
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62019357) is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is NMBNLSYVDOZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-8-2-1-7(5-9(8)14)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 299.11 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62019357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).