2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride

C9H11ClN2O3 — CID 82443028

IUPAC2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
SMILESCOCCn1nc(C)cc(C(=O)Cl)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-6-5-7(8(10)13)9(14)12(11-6)3-4-15-2/h5H,3-4H2,1-2H3
InChIKeyLMXWMGWSQVWWRM-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.58
Rot. Bonds4

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

2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride (PubChem CID 82443028) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
PubChem CID82443028
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
SMILESCOCCn1nc(C)cc(C(=O)Cl)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-6-5-7(8(10)13)9(14)12(11-6)3-4-15-2/h5H,3-4H2,1-2H3
InChIKeyLMXWMGWSQVWWRM-UHFFFAOYSA-N
XLogP0.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.58
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

2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82443029
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
CID 82442975
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
6-tert-butyl-2-(2-methoxyethyl)-3-oxopyridazine-4-carbothioamide
CID 82443730
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
trifluoro-[1-(3-methoxypropyl)-3-methylpyrazol-5-yl]boranuide
CID 165170534
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride?
The IUPAC name of 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride (CID 82443028) is 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride.
What is the SMILES notation for 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride?
The canonical SMILES for 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride is COCCn1nc(C)cc(C(=O)Cl)c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride?
The InChIKey is LMXWMGWSQVWWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-6-5-7(8(10)13)9(14)12(11-6)3-4-15-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride?
2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride has a molecular weight of 230.65 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride is sourced from PubChem (CID 82443028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).