5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one

C9H11IN2O2 — CID 114553707

IUPAC5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC1CCOC1
InChIInChI=1S/C9H11IN2O2/c10-8-3-9(13)12(11-4-8)5-7-1-2-14-6-7/h3-4,7H,1-2,5-6H2
InChIKeyCDWNEBIXQUZXPI-UHFFFAOYSA-N
MW306.10 g/mol
LogP0.88
Rot. Bonds2

About 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one

5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one (PubChem CID 114553707) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one
PubChem CID114553707
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC1CCOC1
InChIInChI=1S/C9H11IN2O2/c10-8-3-9(13)12(11-4-8)5-7-1-2-14-6-7/h3-4,7H,1-2,5-6H2
InChIKeyCDWNEBIXQUZXPI-UHFFFAOYSA-N
XLogP0.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103036351
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
5-Iodo-2-(oxolan-3-yl)pyridazin-3-one
CID 114553567
5-Iodo-2-(4-methoxybutyl)pyridazin-3-one
CID 114553672
5-Iodo-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 114553716
5-Iodo-2-(oxolan-2-yl)pyridazin-3-one
CID 119054386
5-iodo-2-[(2R)-oxolan-2-yl]pyridazin-3-one
CID 124747298
5-iodo-2-[(2S)-oxolan-2-yl]pyridazin-3-one
CID 124747299
2-[(Oxolan-3-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126855075

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one (CID 114553707) is 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one is O=c1cc(I)cnn1CC1CCOC1.
What is the InChIKey of 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one?
The InChIKey is CDWNEBIXQUZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-8-3-9(13)12(11-4-8)5-7-1-2-14-6-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one?
5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one has a molecular weight of 306.10 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114553707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).