6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride

C14H13ClN2O3 — CID 82444501

IUPAC6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)c(=O)n(C)n2)cc1C
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)20-3)11-7-10(13(15)18)14(19)17(2)16-11/h4-7H,1-3H3
InChIKeyXZZIGPBDFPWKCI-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.14
Rot. Bonds3

About 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride

6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride (PubChem CID 82444501) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
PubChem CID82444501
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
SMILESCOc1ccc(-c2cc(C(=O)Cl)c(=O)n(C)n2)cc1C
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)20-3)11-7-10(13(15)18)14(19)17(2)16-11/h4-7H,1-3H3
InChIKeyXZZIGPBDFPWKCI-UHFFFAOYSA-N
XLogP2.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447663
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467631
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride (CID 82444501) is 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride is COc1ccc(-c2cc(C(=O)Cl)c(=O)n(C)n2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride?
The InChIKey is XZZIGPBDFPWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)20-3)11-7-10(13(15)18)14(19)17(2)16-11/h4-7H,1-3H3.
What are the key properties of 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride?
6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride has a molecular weight of 292.72 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride is sourced from PubChem (CID 82444501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).