4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one

C9H13ClN2O3 — CID 10443966

IUPAC4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-15-7-6-11-12(4-2-3-5-13)9(14)8(7)10/h6,13H,2-5H2,1H3
InChIKeyUKEDTTGXLICIRH-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.68
Rot. Bonds5

About 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one

4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one (PubChem CID 10443966) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one
PubChem CID10443966
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-15-7-6-11-12(4-2-3-5-13)9(14)8(7)10/h6,13H,2-5H2,1H3
InChIKeyUKEDTTGXLICIRH-UHFFFAOYSA-N
XLogP0.68
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
2-Butyl-4-chloro-5-hydroxypyridazin-3(2H)-one
CID 54683701
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694
4-chloro-5-hydroxy-2-pentyl-3(2H)-pyridazinone
CID 54683702
4-chloro-5-hydroxy-2-(3'-hydroxypropyl)-3(2H)-pyridazinone
CID 54731250
4,5-Dichloro-2-(1-methoxybutyl)pyridazin-3-one
CID 168963015
2-(4-Hydroxybutyl)-5-methoxypyridazin-3-one
CID 9990317
4,5-Dichloro-2-(4-hydroxybutyl)pyridazin-3-one
CID 10105556
2-Butyl-4-chloro-5-methoxypyridazin-3-one
CID 12758396
4-Chloro-2-(2-hydroxyethyl)-5-methoxypyridazin-3(2H)-one
CID 53426521
4-Chloro-5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one
CID 54683708
4,5-Dichloro-2-(4-methoxybutyl)pyridazin-3-one
CID 115687841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one (CID 10443966) is 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one is COc1cnn(CCCCO)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one?
The InChIKey is UKEDTTGXLICIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-15-7-6-11-12(4-2-3-5-13)9(14)8(7)10/h6,13H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one?
4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one has a molecular weight of 232.67 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-hydroxybutyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 10443966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).