2-dodecyl-5-iodopyridazin-3-one

C16H27IN2O — CID 114553371

IUPAC2-dodecyl-5-iodopyridazin-3-one
SMILESCCCCCCCCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C16H27IN2O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12H2,1H3
InChIKeyVSHPDLYNHLJLJX-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.77
Rot. Bonds11

About 2-dodecyl-5-iodopyridazin-3-one

2-dodecyl-5-iodopyridazin-3-one (PubChem CID 114553371) has the molecular formula C16H27IN2O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-dodecyl-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-dodecyl-5-iodopyridazin-3-one
PubChem CID114553371
Molecular FormulaC16H27IN2O
Molecular Weight390.31 g/mol
Exact Mass390.12
IUPAC Name2-dodecyl-5-iodopyridazin-3-one
SMILESCCCCCCCCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C16H27IN2O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12H2,1H3
InChIKeyVSHPDLYNHLJLJX-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Cyclohexylethyl)-5-iodopyridazin-3-one
CID 117793727
2-Hept-6-enyl-5-iodopyridazin-3-one
CID 107009997
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
5-Iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107913287
2-Decyl-5-iodopyridazin-3-one
CID 113600155
2-Butyl-5-iodopyridazin-3-one
CID 114553313
2-Hexyl-5-iodopyridazin-3-one
CID 114553314
5-Iodo-2-octylpyridazin-3-one
CID 114553315
2-(2-Ethylhexyl)-5-iodopyridazin-3-one
CID 114553316
2-Cyclohexyl-5-iodopyridazin-3-one
CID 114553319
2-Heptyl-5-iodopyridazin-3-one
CID 114553370
5-Iodo-2-(2-methylpentyl)pyridazin-3-one
CID 114553437

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-5-iodopyridazin-3-one?
The IUPAC name of 2-dodecyl-5-iodopyridazin-3-one (CID 114553371) is 2-dodecyl-5-iodopyridazin-3-one.
What is the SMILES notation for 2-dodecyl-5-iodopyridazin-3-one?
The canonical SMILES for 2-dodecyl-5-iodopyridazin-3-one is CCCCCCCCCCCCn1ncc(I)cc1=O.
What is the InChIKey of 2-dodecyl-5-iodopyridazin-3-one?
The InChIKey is VSHPDLYNHLJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27IN2O/c1-2-3-4-5-6-7-8-9-10-11-12-19-16(20)13-15(17)14-18-19/h13-14H,2-12H2,1H3.
What are the key properties of 2-dodecyl-5-iodopyridazin-3-one?
2-dodecyl-5-iodopyridazin-3-one has a molecular weight of 390.31 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-5-iodopyridazin-3-one is sourced from PubChem (CID 114553371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).