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

C6H7IN2O2 — CID 114553415

IUPAC2-(2-hydroxyethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCO
InChIInChI=1S/C6H7IN2O2/c7-5-3-6(11)9(1-2-10)8-4-5/h3-4,10H,1-2H2
InChIKeySWOFDSDAKCKJRQ-UHFFFAOYSA-N
MW266.04 g/mol
LogP-0.16
Rot. Bonds2

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

2-(2-hydroxyethyl)-5-iodopyridazin-3-one (PubChem CID 114553415) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-iodopyridazin-3-one
PubChem CID114553415
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name2-(2-hydroxyethyl)-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1CCO
InChIInChI=1S/C6H7IN2O2/c7-5-3-6(11)9(1-2-10)8-4-5/h3-4,10H,1-2H2
InChIKeySWOFDSDAKCKJRQ-UHFFFAOYSA-N
XLogP-0.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 5-0.16
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

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
2-(Hydroxymethyl)-5-iodopyridazin-3(2H)-one
CID 67010519
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
2-(3-Hydroxypropyl)-5-iodopyridazin-3-one
CID 114553325
2-(2,3-Dihydroxypropyl)-5-iodopyridazin-3-one
CID 114553394
5-Iodo-2-(2-methoxyethyl)pyridazin-3-one
CID 114553498
2-[2-(2-Hydroxyethoxy)ethyl]-5-iodopyridazin-3-one
CID 114553601
2-(2-Hydroxypropyl)-5-iodopyridazin-3-one
CID 114553655
2-(4-Hydroxybutyl)-5-iodopyridazin-3-one
CID 114553666

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-iodopyridazin-3-one (CID 114553415) is 2-(2-hydroxyethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-iodopyridazin-3-one is O=c1cc(I)cnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-5-iodopyridazin-3-one?
The InChIKey is SWOFDSDAKCKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c7-5-3-6(11)9(1-2-10)8-4-5/h3-4,10H,1-2H2.
What are the key properties of 2-(2-hydroxyethyl)-5-iodopyridazin-3-one?
2-(2-hydroxyethyl)-5-iodopyridazin-3-one has a molecular weight of 266.04 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).