5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one

C13H13ClN2O2 — CID 82446377

IUPAC5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(C)cc1-c1cc(CCl)c(=O)[nH]n1
InChIInChI=1S/C13H13ClN2O2/c1-8-3-4-12(18-2)10(5-8)11-6-9(7-14)13(17)16-15-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyWZKGOYPWUWMVFV-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.49
Rot. Bonds3

About 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one

5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one (PubChem CID 82446377) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
PubChem CID82446377
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(C)cc1-c1cc(CCl)c(=O)[nH]n1
InChIInChI=1S/C13H13ClN2O2/c1-8-3-4-12(18-2)10(5-8)11-6-9(7-14)13(17)16-15-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyWZKGOYPWUWMVFV-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
CID 106517368
3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
CID 39218703
5-(chloromethyl)-3-(4-ethylphenyl)-1H-pyridazin-6-one
CID 82445487
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one (CID 82446377) is 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one is COc1ccc(C)cc1-c1cc(CCl)c(=O)[nH]n1.
What is the InChIKey of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is WZKGOYPWUWMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-3-4-12(18-2)10(5-8)11-6-9(7-14)13(17)16-15-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one?
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 264.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).