1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride

C13H11ClN2O3 — CID 82419537

IUPAC1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
SMILESCOc1ccccc1-n1nc(C(=O)Cl)c(=O)cc1C
InChIInChI=1S/C13H11ClN2O3/c1-8-7-10(17)12(13(14)18)15-16(8)9-5-3-4-6-11(9)19-2/h3-7H,1-2H3
InChIKeyKHAXUNCQVIZOJE-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.93
Rot. Bonds3

About 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride

1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride (PubChem CID 82419537) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
PubChem CID82419537
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
SMILESCOc1ccccc1-n1nc(C(=O)Cl)c(=O)cc1C
InChIInChI=1S/C13H11ClN2O3/c1-8-7-10(17)12(13(14)18)15-16(8)9-5-3-4-6-11(9)19-2/h3-7H,1-2H3
InChIKeyKHAXUNCQVIZOJE-UHFFFAOYSA-N
XLogP1.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.93
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

1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
3-[(2-methoxyethylamino)methyl]-1-(2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82419522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The IUPAC name of 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride (CID 82419537) is 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The canonical SMILES for 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride is COc1ccccc1-n1nc(C(=O)Cl)c(=O)cc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The InChIKey is KHAXUNCQVIZOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-7-10(17)12(13(14)18)15-16(8)9-5-3-4-6-11(9)19-2/h3-7H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride has a molecular weight of 278.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride is sourced from PubChem (CID 82419537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).