6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one

C8H11ClN2O2 — CID 82442478

IUPAC6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(CCl)ccc1=O
InChIInChI=1S/C8H11ClN2O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6H2,1H3
InChIKeyAUHSHSMWWWXWIS-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.63
Rot. Bonds4

About 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one

6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 82442478) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID82442478
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(CCl)ccc1=O
InChIInChI=1S/C8H11ClN2O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6H2,1H3
InChIKeyAUHSHSMWWWXWIS-UHFFFAOYSA-N
XLogP0.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442484
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
2-[2-(2-chloroethoxy)ethyl]-6-methylpyridazin-3-one
CID 63664601
N'-(3-chlorobenzoyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
CID 37349424
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one (CID 82442478) is 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(CCl)ccc1=O.
What is the InChIKey of 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is AUHSHSMWWWXWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6H2,1H3.
What are the key properties of 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one?
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 202.64 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 82442478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).