4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one

C10H13Cl3N2O — CID 23039513

IUPAC4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)(Cl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl3N2O/c1-3-4-10(2,13)6-15-9(16)8(12)7(11)5-14-15/h5H,3-4,6H2,1-2H3
InChIKeyKXRRAIRGRDJUJC-UHFFFAOYSA-N
MW283.59 g/mol
LogP3.35
Rot. Bonds4

About 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one

4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one (PubChem CID 23039513) has the molecular formula C10H13Cl3N2O and a molecular weight of 283.59 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one
PubChem CID23039513
Molecular FormulaC10H13Cl3N2O
Molecular Weight283.59 g/mol
Exact Mass282.01
IUPAC Name4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)(Cl)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl3N2O/c1-3-4-10(2,13)6-15-9(16)8(12)7(11)5-14-15/h5H,3-4,6H2,1-2H3
InChIKeyKXRRAIRGRDJUJC-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one (CID 23039513) is 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one is CCCC(C)(Cl)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one?
The InChIKey is KXRRAIRGRDJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2O/c1-3-4-10(2,13)6-15-9(16)8(12)7(11)5-14-15/h5H,3-4,6H2,1-2H3.
What are the key properties of 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one?
4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one has a molecular weight of 283.59 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2-chloro-2-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 23039513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).