4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

C13H9Cl3N2O3 — CID 7628617

IUPAC4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C13H9Cl3N2O3/c1-21-11-3-2-7(4-8(11)14)10(19)6-18-13(20)12(16)9(15)5-17-18/h2-5H,6H2,1H3
InChIKeySJCCPBHRDUTRGM-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.10
Rot. Bonds4

About 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 7628617) has the molecular formula C13H9Cl3N2O3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID7628617
Molecular FormulaC13H9Cl3N2O3
Molecular Weight347.59 g/mol
Exact Mass345.97
IUPAC Name4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C13H9Cl3N2O3/c1-21-11-3-2-7(4-8(11)14)10(19)6-18-13(20)12(16)9(15)5-17-18/h2-5H,6H2,1H3
InChIKeySJCCPBHRDUTRGM-UHFFFAOYSA-N
XLogP3.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7544095
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922670
(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9492249
4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]benzonitrile
CID 166162775
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (CID 7628617) is 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is COc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is SJCCPBHRDUTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O3/c1-21-11-3-2-7(4-8(11)14)10(19)6-18-13(20)12(16)9(15)5-17-18/h2-5H,6H2,1H3.
What are the key properties of 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 347.59 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 7628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).