2-butan-2-yl-5-iodopyridazin-3-one

C8H11IN2O — CID 114553310

IUPAC2-butan-2-yl-5-iodopyridazin-3-one
SMILESCCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C8H11IN2O/c1-3-6(2)11-8(12)4-7(9)5-10-11/h4-6H,3H2,1-2H3
InChIKeyWOIXXZLLTWVXQS-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.82
Rot. Bonds2

About 2-butan-2-yl-5-iodopyridazin-3-one

2-butan-2-yl-5-iodopyridazin-3-one (PubChem CID 114553310) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-butan-2-yl-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-5-iodopyridazin-3-one
PubChem CID114553310
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name2-butan-2-yl-5-iodopyridazin-3-one
SMILESCCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C8H11IN2O/c1-3-6(2)11-8(12)4-7(9)5-10-11/h4-6H,3H2,1-2H3
InChIKeyWOIXXZLLTWVXQS-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.82
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-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(2-Fluoroethyl)-5-iodopyridazin-3-one
CID 114553694
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-(3-Methylbutan-2-yl)pyridazin-3-one
CID 58125063
2-Butan-2-ylpyridazin-3-one
CID 66921964
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312
4-Methyl-2-propan-2-ylpyridazin-3-one
CID 123829698
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
2-Cyclopropyl-5-methylpyridazin-3(2H)-one
CID 125452004
Ethane;2-propan-2-ylpyridazin-3-one
CID 143160773

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-iodopyridazin-3-one?
The IUPAC name of 2-butan-2-yl-5-iodopyridazin-3-one (CID 114553310) is 2-butan-2-yl-5-iodopyridazin-3-one.
What is the SMILES notation for 2-butan-2-yl-5-iodopyridazin-3-one?
The canonical SMILES for 2-butan-2-yl-5-iodopyridazin-3-one is CCC(C)n1ncc(I)cc1=O.
What is the InChIKey of 2-butan-2-yl-5-iodopyridazin-3-one?
The InChIKey is WOIXXZLLTWVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c1-3-6(2)11-8(12)4-7(9)5-10-11/h4-6H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-iodopyridazin-3-one?
2-butan-2-yl-5-iodopyridazin-3-one has a molecular weight of 278.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-iodopyridazin-3-one is sourced from PubChem (CID 114553310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).