2-hexyl-5-iodopyridazin-3-one

C10H15IN2O — CID 114553314

IUPAC2-hexyl-5-iodopyridazin-3-one
SMILESCCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyPVALDLICYLUJKN-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.43
Rot. Bonds5

About 2-hexyl-5-iodopyridazin-3-one

2-hexyl-5-iodopyridazin-3-one (PubChem CID 114553314) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-hexyl-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-hexyl-5-iodopyridazin-3-one
PubChem CID114553314
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name2-hexyl-5-iodopyridazin-3-one
SMILESCCCCCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyPVALDLICYLUJKN-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.43
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

5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726
2-Pentylpyridazin-3-one
CID 69248716
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312
2-Hexan-2-ylpyridazin-3-one
CID 165135892
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
5-Iodo-2-(3-methylbutyl)pyridazin-3-one
CID 114553309
2-Butan-2-yl-5-iodopyridazin-3-one
CID 114553310
2-Butyl-5-iodopyridazin-3-one
CID 114553313

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-iodopyridazin-3-one?
The IUPAC name of 2-hexyl-5-iodopyridazin-3-one (CID 114553314) is 2-hexyl-5-iodopyridazin-3-one.
What is the SMILES notation for 2-hexyl-5-iodopyridazin-3-one?
The canonical SMILES for 2-hexyl-5-iodopyridazin-3-one is CCCCCCn1ncc(I)cc1=O.
What is the InChIKey of 2-hexyl-5-iodopyridazin-3-one?
The InChIKey is PVALDLICYLUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-2-3-4-5-6-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3.
What are the key properties of 2-hexyl-5-iodopyridazin-3-one?
2-hexyl-5-iodopyridazin-3-one has a molecular weight of 306.15 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-iodopyridazin-3-one is sourced from PubChem (CID 114553314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).