2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride

C10H13ClN2O3 — CID 82443029

IUPAC2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
SMILESCOCCn1nc(C)cc(CC(=O)Cl)c1=O
InChIInChI=1S/C10H13ClN2O3/c1-7-5-8(6-9(11)14)10(15)13(12-7)3-4-16-2/h5H,3-4,6H2,1-2H3
InChIKeyVJJHZDHUTMAHMK-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride

2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride (PubChem CID 82443029) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
PubChem CID82443029
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
SMILESCOCCn1nc(C)cc(CC(=O)Cl)c1=O
InChIInChI=1S/C10H13ClN2O3/c1-7-5-8(6-9(11)14)10(15)13(12-7)3-4-16-2/h5H,3-4,6H2,1-2H3
InChIKeyVJJHZDHUTMAHMK-UHFFFAOYSA-N
XLogP0.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
CID 82442975
2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443028
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82442720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride?
The IUPAC name of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride (CID 82443029) is 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride?
The canonical SMILES for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride is COCCn1nc(C)cc(CC(=O)Cl)c1=O.
What is the InChIKey of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride?
The InChIKey is VJJHZDHUTMAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-7-5-8(6-9(11)14)10(15)13(12-7)3-4-16-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride?
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride has a molecular weight of 244.68 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride is sourced from PubChem (CID 82443029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).