4,5-dichloro-2-nonylpyridazin-3-one

C13H20Cl2N2O — CID 113223654

IUPAC4,5-dichloro-2-nonylpyridazin-3-one
SMILESCCCCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H20Cl2N2O/c1-2-3-4-5-6-7-8-9-17-13(18)12(15)11(14)10-16-17/h10H,2-9H2,1H3
InChIKeyIQWBSTAZGCERBC-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.30
Rot. Bonds8

About 4,5-dichloro-2-nonylpyridazin-3-one

4,5-dichloro-2-nonylpyridazin-3-one (PubChem CID 113223654) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 4,5-dichloro-2-nonylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-nonylpyridazin-3-one
PubChem CID113223654
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name4,5-dichloro-2-nonylpyridazin-3-one
SMILESCCCCCCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H20Cl2N2O/c1-2-3-4-5-6-7-8-9-17-13(18)12(15)11(14)10-16-17/h10H,2-9H2,1H3
InChIKeyIQWBSTAZGCERBC-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
3(2H)-Pyridazinone, 4,5-dichloro-2-(3-(dimethylamino)propyl)-, monohydrochloride
CID 209861
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-Dichloro-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 209862
4-chloro-5-hydroxy-2-octyl-3(2H)-pyridazinone
CID 54704497
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-cyclopentylpyridazin-3-one
CID 13881555
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
2-(2-chloro-2-methylpentyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039513
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
2-Butan-2-yl-4,5-dichloropyridazin-3-one
CID 61272264
4,5-Dichloro-2-(2,2-dimethylpropyl)pyridazin-3-one
CID 86127583

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-nonylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-nonylpyridazin-3-one (CID 113223654) is 4,5-dichloro-2-nonylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-nonylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-nonylpyridazin-3-one is CCCCCCCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-nonylpyridazin-3-one?
The InChIKey is IQWBSTAZGCERBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-2-3-4-5-6-7-8-9-17-13(18)12(15)11(14)10-16-17/h10H,2-9H2,1H3.
What are the key properties of 4,5-dichloro-2-nonylpyridazin-3-one?
4,5-dichloro-2-nonylpyridazin-3-one has a molecular weight of 291.22 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-nonylpyridazin-3-one is sourced from PubChem (CID 113223654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).