1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone

C12H10ClN2O+ — CID 6418806

IUPAC1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone
SMILESO=C(C[n+]1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN2O/c13-11-5-3-10(4-6-11)12(16)9-15-8-2-1-7-14-15/h1-8H,9H2/q+1
InChIKeyYDOSQSZBVKVSRW-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.91
Rot. Bonds3

About 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone

1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone (PubChem CID 6418806) has the molecular formula C12H10ClN2O+ and a molecular weight of 233.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone
PubChem CID6418806
Molecular FormulaC12H10ClN2O+
Molecular Weight233.68 g/mol
Exact Mass233.05
IUPAC Name1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone
SMILESO=C(C[n+]1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN2O/c13-11-5-3-10(4-6-11)12(16)9-15-8-2-1-7-14-15/h1-8H,9H2/q+1
InChIKeyYDOSQSZBVKVSRW-UHFFFAOYSA-N
XLogP1.91
TPSA33.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone (CID 6418806) is 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone is O=C(C[n+]1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone?
The InChIKey is YDOSQSZBVKVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN2O/c13-11-5-3-10(4-6-11)12(16)9-15-8-2-1-7-14-15/h1-8H,9H2/q+1.
What are the key properties of 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone?
1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone has a molecular weight of 233.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-pyridazin-1-ium-1-ylethanone is sourced from PubChem (CID 6418806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).