4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride

C11H5Cl3N2O2 — CID 18983164

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H5Cl3N2O2/c12-8-5-15-16(11(18)9(8)13)7-3-1-6(2-4-7)10(14)17/h1-5H
InChIKeyANJNPDBPYJOQEM-UHFFFAOYSA-N
MW303.53 g/mol
LogP2.92
Rot. Bonds2

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride

4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride (PubChem CID 18983164) has the molecular formula C11H5Cl3N2O2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
PubChem CID18983164
Molecular FormulaC11H5Cl3N2O2
Molecular Weight303.53 g/mol
Exact Mass301.94
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H5Cl3N2O2/c12-8-5-15-16(11(18)9(8)13)7-3-1-6(2-4-7)10(14)17/h1-5H
InChIKeyANJNPDBPYJOQEM-UHFFFAOYSA-N
XLogP2.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4,5-Dichloro-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one
CID 2774757
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
CID 2470212
4,5-Dichloro-2-(4-nitrobenzoyl)-3(2H)-pyridazinone
CID 3025885
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
4-(4,5-Dichloro-6-oxopyridazin-1-yl)-2,5-difluorobenzamide
CID 22235208
2-Fluoro-4-(6-oxopyridazin-1-yl)benzamide
CID 69315364
4-(5-Chloro-4-fluoro-6-oxopyridazin-1(6H)-yl)benzoyl chloride
CID 71325139
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)benzoyl chloride
CID 88672400
4,5-Dichloro-2-[4-(fluoromethyl)phenyl]pyridazin-3-one
CID 126547347
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 154721643
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)benzamide
CID 1705669
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1705698

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride (CID 18983164) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride is O=C(Cl)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride?
The InChIKey is ANJNPDBPYJOQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O2/c12-8-5-15-16(11(18)9(8)13)7-3-1-6(2-4-7)10(14)17/h1-5H.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride?
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride has a molecular weight of 303.53 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride is sourced from PubChem (CID 18983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).