4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one

C13H13ClN2O2 — CID 82444106

IUPAC4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccccc1-c1cc(CCl)c(=O)n(C)n1
InChIInChI=1S/C13H13ClN2O2/c1-16-13(17)9(8-14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7H,8H2,1-2H3
InChIKeyVESCUCPWKOEHSF-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.19
Rot. Bonds3

About 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one

4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 82444106) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
PubChem CID82444106
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccccc1-c1cc(CCl)c(=O)n(C)n1
InChIInChI=1S/C13H13ClN2O2/c1-16-13(17)9(8-14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7H,8H2,1-2H3
InChIKeyVESCUCPWKOEHSF-UHFFFAOYSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
3-[4-bromo-5-(2-methoxyphenyl)-2-methylpyrazol-3-yl]propanoic acid
CID 84611906
5-[(2-fluorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 71802710
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one (CID 82444106) is 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one is COc1ccccc1-c1cc(CCl)c(=O)n(C)n1.
What is the InChIKey of 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is VESCUCPWKOEHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16-13(17)9(8-14)7-11(15-16)10-5-3-4-6-12(10)18-2/h3-7H,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 264.71 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).