2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one

C8H11ClN2O2 — CID 106548475

IUPAC2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C8H11ClN2O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5H2,1H3
InChIKeyMCHBHAJQVZBRHS-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.15
Rot. Bonds3

About 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one

2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one (PubChem CID 106548475) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
PubChem CID106548475
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C8H11ClN2O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5H2,1H3
InChIKeyMCHBHAJQVZBRHS-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-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-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-[2-(2-Chloroethoxy)ethyl]-5-methylpyridazin-3-one
CID 106548467
2-(2-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548847
2-(3-Hydroxybutan-2-yl)-5-methylpyridazin-3-one
CID 106548854
2-(2-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548856
2-[(2R)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106548983
2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106549003
2-(3-Chloro-2-hydroxypropyl)pyridazin-3-one
CID 112560266
2-(3-Chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394221
2-(3-Chloro-2-hydroxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394329
2-(3-Chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one
CID 114394357
2-(3-Chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one (CID 106548475) is 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one is Cc1cnn(CC(O)CCl)c(=O)c1.
What is the InChIKey of 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one?
The InChIKey is MCHBHAJQVZBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5H2,1H3.
What are the key properties of 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one?
2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one has a molecular weight of 202.64 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).