5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one

C11H7Cl3N2O2 — CID 1487477

IUPAC5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C11H7Cl3N2O2/c1-18-10-9(14)5-15-16(11(10)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3
InChIKeyJIFQJEBCHTXHEH-UHFFFAOYSA-N
MW305.55 g/mol
LogP3.20
Rot. Bonds2

About 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one

5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one (PubChem CID 1487477) has the molecular formula C11H7Cl3N2O2 and a molecular weight of 305.55 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one
PubChem CID1487477
Molecular FormulaC11H7Cl3N2O2
Molecular Weight305.55 g/mol
Exact Mass303.96
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C11H7Cl3N2O2/c1-18-10-9(14)5-15-16(11(10)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3
InChIKeyJIFQJEBCHTXHEH-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-(3-chlorophenyl)-5-methoxy-3(2H)-pyridazinone
CID 574146
5-Chloro-4-methoxy-2-phenyl-3(2H)-pyridazinone
CID 555185
Pyridazinone, 2
CID 24016224
5-chloro-4-ethoxy-2-phenyl-3(2H)-pyridazinone
CID 779742
Pyridazinone, 2-15
CID 44246283
Pyridazinone, 2-24
CID 44246291
Pyridazinone, 2-26
CID 44246292
Pyridazinone, 2-33
CID 44246297
4,5-Dichloro-2-(3,4-dichlorophenyl)-3(2H)-pyridazinone
CID 16778851
5-Chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one
CID 755048
2-(3-chloro-4-fluorophenyl)-4-methoxy-5-bromo-3(2H)-pyridazinone
CID 21933858
2-(3-Chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one
CID 70611352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one (CID 1487477) is 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one is COc1c(Cl)cnn(-c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one?
The InChIKey is JIFQJEBCHTXHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O2/c1-18-10-9(14)5-15-16(11(10)17)6-2-3-7(12)8(13)4-6/h2-5H,1H3.
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one?
5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one has a molecular weight of 305.55 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)-4-methoxypyridazin-3-one is sourced from PubChem (CID 1487477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).