4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one

C8H8IN3O2 — CID 168703466

IUPAC4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(I)nn1
InChIInChI=1S/C8H8IN3O2/c9-6-1-2-7(11-10-6)12-4-5(13)3-8(12)14/h1-2,5,13H,3-4H2
InChIKeyKSAZGMZBWUZQRE-UHFFFAOYSA-N
MW305.08 g/mol
LogP0.18
Rot. Bonds1

About 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one

4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one (PubChem CID 168703466) has the molecular formula C8H8IN3O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
PubChem CID168703466
Molecular FormulaC8H8IN3O2
Molecular Weight305.08 g/mol
Exact Mass304.97
IUPAC Name4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(I)nn1
InChIInChI=1S/C8H8IN3O2/c9-6-1-2-7(11-10-6)12-4-5(13)3-8(12)14/h1-2,5,13H,3-4H2
InChIKeyKSAZGMZBWUZQRE-UHFFFAOYSA-N
XLogP0.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azidomethyl)-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168657877
4-hydroxy-1-[4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168704116
4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one
CID 168701889
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168701841
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one (CID 168703466) is 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1ccc(I)nn1.
What is the InChIKey of 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one?
The InChIKey is KSAZGMZBWUZQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O2/c9-6-1-2-7(11-10-6)12-4-5(13)3-8(12)14/h1-2,5,13H,3-4H2.
What are the key properties of 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one?
4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one has a molecular weight of 305.08 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168703466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).