2-(5-chloropentyl)-1H-pyridazine-3,6-dione

C9H13ClN2O2 — CID 43348318

IUPAC2-(5-chloropentyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCCl)[nH]1
InChIInChI=1S/C9H13ClN2O2/c10-6-2-1-3-7-12-9(14)5-4-8(13)11-12/h4-5H,1-3,6-7H2,(H,11,13)
InChIKeyYROUWOSHEGZMCT-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.95
Rot. Bonds5

About 2-(5-chloropentyl)-1H-pyridazine-3,6-dione

2-(5-chloropentyl)-1H-pyridazine-3,6-dione (PubChem CID 43348318) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(5-chloropentyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(5-chloropentyl)-1H-pyridazine-3,6-dione
PubChem CID43348318
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-(5-chloropentyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCCl)[nH]1
InChIInChI=1S/C9H13ClN2O2/c10-6-2-1-3-7-12-9(14)5-4-8(13)11-12/h4-5H,1-3,6-7H2,(H,11,13)
InChIKeyYROUWOSHEGZMCT-UHFFFAOYSA-N
XLogP0.95
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropentyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(5-chloropentyl)-1H-pyridazine-3,6-dione (CID 43348318) is 2-(5-chloropentyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(5-chloropentyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(5-chloropentyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCCCCl)[nH]1.
What is the InChIKey of 2-(5-chloropentyl)-1H-pyridazine-3,6-dione?
The InChIKey is YROUWOSHEGZMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-6-2-1-3-7-12-9(14)5-4-8(13)11-12/h4-5H,1-3,6-7H2,(H,11,13).
What are the key properties of 2-(5-chloropentyl)-1H-pyridazine-3,6-dione?
2-(5-chloropentyl)-1H-pyridazine-3,6-dione has a molecular weight of 216.67 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropentyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43348318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).