4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride

C13H11ClN2O3 — CID 142773071

IUPAC4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Cl
InChIInChI=1S/C13H11ClN2O3/c1-8-5-3-4-6-9(8)16-11(17)7-10(19-2)12(15-16)13(14)18/h3-7H,1-2H3
InChIKeyPHQLZKSIJOHAIV-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.93
Rot. Bonds3

About 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride

4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride (PubChem CID 142773071) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
PubChem CID142773071
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Cl
InChIInChI=1S/C13H11ClN2O3/c1-8-5-3-4-6-9(8)16-11(17)7-10(19-2)12(15-16)13(14)18/h3-7H,1-2H3
InChIKeyPHQLZKSIJOHAIV-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

N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
CID 8554639
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554755
5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 18568903
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8555016
4-methoxy-1-(2-methylphenyl)-N-(4-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 8554825
dimethyl 2-[[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 26842156
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
4-methoxy-N-(2-methyl-4-nitrophenyl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554830
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 8554482

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride?
The IUPAC name of 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride (CID 142773071) is 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride.
What is the SMILES notation for 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride?
The canonical SMILES for 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Cl.
What is the InChIKey of 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride?
The InChIKey is PHQLZKSIJOHAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-5-3-4-6-9(8)16-11(17)7-10(19-2)12(15-16)13(14)18/h3-7H,1-2H3.
What are the key properties of 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride?
4-methoxy-1-(2-methylphenyl)-6-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 4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride is sourced from PubChem (CID 142773071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).