2-(5-chloropentyl)pyridazin-3-one

C9H13ClN2O — CID 62849591

IUPAC2-(5-chloropentyl)pyridazin-3-one
SMILESO=c1cccnn1CCCCCCl
InChIInChI=1S/C9H13ClN2O/c10-6-2-1-3-8-12-9(13)5-4-7-11-12/h4-5,7H,1-3,6,8H2
InChIKeyNZNOXOSOQUZAML-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.65
Rot. Bonds5

About 2-(5-chloropentyl)pyridazin-3-one

2-(5-chloropentyl)pyridazin-3-one (PubChem CID 62849591) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-(5-chloropentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(5-chloropentyl)pyridazin-3-one
PubChem CID62849591
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-(5-chloropentyl)pyridazin-3-one
SMILESO=c1cccnn1CCCCCCl
InChIInChI=1S/C9H13ClN2O/c10-6-2-1-3-8-12-9(13)5-4-7-11-12/h4-5,7H,1-3,6,8H2
InChIKeyNZNOXOSOQUZAML-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.65
H-Bond Donors ≤ 50
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)pyridazin-3-one?
The IUPAC name of 2-(5-chloropentyl)pyridazin-3-one (CID 62849591) is 2-(5-chloropentyl)pyridazin-3-one.
What is the SMILES notation for 2-(5-chloropentyl)pyridazin-3-one?
The canonical SMILES for 2-(5-chloropentyl)pyridazin-3-one is O=c1cccnn1CCCCCCl.
What is the InChIKey of 2-(5-chloropentyl)pyridazin-3-one?
The InChIKey is NZNOXOSOQUZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-6-2-1-3-8-12-9(13)5-4-7-11-12/h4-5,7H,1-3,6,8H2.
What are the key properties of 2-(5-chloropentyl)pyridazin-3-one?
2-(5-chloropentyl)pyridazin-3-one has a molecular weight of 200.67 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropentyl)pyridazin-3-one is sourced from PubChem (CID 62849591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).