2-(3-chloro-2-hydroxypropyl)pyridazin-3-one

C7H9ClN2O2 — CID 112560266

IUPAC2-(3-chloro-2-hydroxypropyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)CCl
InChIInChI=1S/C7H9ClN2O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2
InChIKeyZLMQGTYMQDOVPF-UHFFFAOYSA-N
MW188.61 g/mol
LogP-0.16
Rot. Bonds3

About 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one

2-(3-chloro-2-hydroxypropyl)pyridazin-3-one (PubChem CID 112560266) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxypropyl)pyridazin-3-one
PubChem CID112560266
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(3-chloro-2-hydroxypropyl)pyridazin-3-one
SMILESO=c1cccnn1CC(O)CCl
InChIInChI=1S/C7H9ClN2O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2
InChIKeyZLMQGTYMQDOVPF-UHFFFAOYSA-N
XLogP-0.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 103935360
2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 103935361
2-(3-Chloro-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061611
2-(3-Chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548475
2-(3-Chloro-2-hydroxypropyl)-6-methylpyridazin-3-one
CID 112560273
2-(3-Chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394221

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one (CID 112560266) is 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one is O=c1cccnn1CC(O)CCl.
What is the InChIKey of 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one?
The InChIKey is ZLMQGTYMQDOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c8-4-6(11)5-10-7(12)2-1-3-9-10/h1-3,6,11H,4-5H2.
What are the key properties of 2-(3-chloro-2-hydroxypropyl)pyridazin-3-one?
2-(3-chloro-2-hydroxypropyl)pyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of -0.16, 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)pyridazin-3-one is sourced from PubChem (CID 112560266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).