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

C9H13IN2O2 — CID 114553543

IUPAC2-(5-hydroxypentyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCCCO
InChIInChI=1S/C9H13IN2O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5H2
InChIKeyAKNXPRSXHCILPU-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.01
Rot. Bonds5

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

2-(5-hydroxypentyl)-5-iodopyridazin-3-one (PubChem CID 114553543) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-5-iodopyridazin-3-one
PubChem CID114553543
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name2-(5-hydroxypentyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCCCCO
InChIInChI=1S/C9H13IN2O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5H2
InChIKeyAKNXPRSXHCILPU-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one
CID 57919249
2-(5-Hydroxypentyl)pyridazin-3-one
CID 62849612
2-(5-Hydroxypentyl)-5-methylpyridazin-3-one
CID 106548853
2-(6-Hydroxyhexyl)-5-iodopyridazin-3-one
CID 107706035
2-(3-Hydroxypropyl)-5-iodopyridazin-3-one
CID 114553325
2-(4-Hydroxybutyl)-5-iodopyridazin-3-one
CID 114553666
5-iodo-2-[(2S)-oxan-2-yl]pyridazin-3-one
CID 124563131
5-iodo-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 124563132
2-(3-Hydroxybutyl)-5-iodopyridazin-3-one
CID 126995963

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(5-hydroxypentyl)-5-iodopyridazin-3-one (CID 114553543) is 2-(5-hydroxypentyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxypentyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(5-hydroxypentyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCCCCO.
What is the InChIKey of 2-(5-hydroxypentyl)-5-iodopyridazin-3-one?
The InChIKey is AKNXPRSXHCILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c10-8-6-9(14)12(11-7-8)4-2-1-3-5-13/h6-7,13H,1-5H2.
What are the key properties of 2-(5-hydroxypentyl)-5-iodopyridazin-3-one?
2-(5-hydroxypentyl)-5-iodopyridazin-3-one has a molecular weight of 308.12 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).