2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one

C9H13ClN2O2 — CID 105061602

IUPAC2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)CCl)n1
InChIInChI=1S/C9H13ClN2O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyMCYCIOSTJXFGPG-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.13
Rot. Bonds4

About 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one

2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one (PubChem CID 105061602) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one
PubChem CID105061602
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)CCl)n1
InChIInChI=1S/C9H13ClN2O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyMCYCIOSTJXFGPG-UHFFFAOYSA-N
XLogP1.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one 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

2-(2-Chloroethyl)-6-(4-methoxy)-3(2h)-pyridazinone
CID 105061595
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-(3-Chloro-2-methylpropyl)pyridazin-3-one
CID 64231830
2-[2-(Chloromethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103065898
2-(3-Chloropropyl)-6-methoxypyridazin-3-one
CID 105061588
2-(4-Chlorobutyl)-6-methoxypyridazin-3-one
CID 105061589
2-(6-Chlorohexyl)-6-methoxypyridazin-3-one
CID 105061597
2-(5-Chloro-3-methylpentyl)-6-methoxypyridazin-3-one
CID 105061605
2-(5-Chloropentyl)-6-methoxypyridazin-3-one
CID 105061606
2-[2-(2-Chloroethoxy)ethyl]-6-methoxypyridazin-3-one
CID 105061607
2-[(E)-4-chlorobut-2-enyl]-6-methoxypyridazin-3-one
CID 105061608
3-(3-Methoxy-6-oxopyridazin-1-yl)-2-methylpropanenitrile
CID 105061772

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one (CID 105061602) is 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(C)CCl)n1.
What is the InChIKey of 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one?
The InChIKey is MCYCIOSTJXFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one?
2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one has a molecular weight of 216.67 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).