2-(2-ethylhexyl)-5-iodopyridazin-3-one

C12H19IN2O — CID 114553316

IUPAC2-(2-ethylhexyl)-5-iodopyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(I)cc1=O
InChIInChI=1S/C12H19IN2O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHCNCQIGGVXVOPL-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.06
Rot. Bonds6

About 2-(2-ethylhexyl)-5-iodopyridazin-3-one

2-(2-ethylhexyl)-5-iodopyridazin-3-one (PubChem CID 114553316) has the molecular formula C12H19IN2O and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethylhexyl)-5-iodopyridazin-3-one
PubChem CID114553316
Molecular FormulaC12H19IN2O
Molecular Weight334.20 g/mol
Exact Mass334.05
IUPAC Name2-(2-ethylhexyl)-5-iodopyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(I)cc1=O
InChIInChI=1S/C12H19IN2O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHCNCQIGGVXVOPL-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(cyclohexylmethyl)-3(2H)-pyridazinone
CID 19104993
2-(2-Cyclohexylethyl)-5-iodopyridazin-3-one
CID 117793727
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
6-(4-Iodo-6-oxopyridazin-1-yl)-2,2-dimethylhexanenitrile
CID 106713673
2-Decyl-5-iodopyridazin-3-one
CID 113600155
5-Iodo-2-(3-methylbutyl)pyridazin-3-one
CID 114553309
2-(2-Ethylcyclohexyl)-5-iodopyridazin-3-one
CID 114553311
2-Hexyl-5-iodopyridazin-3-one
CID 114553314
5-Iodo-2-octylpyridazin-3-one
CID 114553315
2-(2-Cyclopropylethyl)-5-iodopyridazin-3-one
CID 114553362
2-Heptyl-5-iodopyridazin-3-one
CID 114553370
2-Dodecyl-5-iodopyridazin-3-one
CID 114553371

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-ethylhexyl)-5-iodopyridazin-3-one (CID 114553316) is 2-(2-ethylhexyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-ethylhexyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-ethylhexyl)-5-iodopyridazin-3-one is CCCCC(CC)Cn1ncc(I)cc1=O.
What is the InChIKey of 2-(2-ethylhexyl)-5-iodopyridazin-3-one?
The InChIKey is HCNCQIGGVXVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-5-iodopyridazin-3-one?
2-(2-ethylhexyl)-5-iodopyridazin-3-one has a molecular weight of 334.20 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).