2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone

C13H10ClFN2O — CID 86235967

IUPAC2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)nn2)ccc1F
InChIInChI=1S/C13H10ClFN2O/c1-8-6-9(2-4-11(8)15)12(18)7-10-3-5-13(14)17-16-10/h2-6H,7H2,1H3
InChIKeyVFLSRYLWGAHZRH-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.00
Rot. Bonds3

About 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 86235967) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID86235967
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)nn2)ccc1F
InChIInChI=1S/C13H10ClFN2O/c1-8-6-9(2-4-11(8)15)12(18)7-10-3-5-13(14)17-16-10/h2-6H,7H2,1H3
InChIKeyVFLSRYLWGAHZRH-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone 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 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 86235967) is 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)Cc2ccc(Cl)nn2)ccc1F.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is VFLSRYLWGAHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-6-9(2-4-11(8)15)12(18)7-10-3-5-13(14)17-16-10/h2-6H,7H2,1H3.
What are the key properties of 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 264.69 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 86235967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).