2-(4-amino-6-iodopyridazin-3-yl)ethanol

C6H8IN3O — CID 87507139

IUPAC2-(4-amino-6-iodopyridazin-3-yl)ethanol
SMILESNc1cc(I)nnc1CCO
InChIInChI=1S/C6H8IN3O/c7-6-3-4(8)5(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,10)
InChIKeyPWJFPOSEAUDPBX-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.20
Rot. Bonds2

About 2-(4-amino-6-iodopyridazin-3-yl)ethanol

2-(4-amino-6-iodopyridazin-3-yl)ethanol (PubChem CID 87507139) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-(4-amino-6-iodopyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-6-iodopyridazin-3-yl)ethanol
PubChem CID87507139
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name2-(4-amino-6-iodopyridazin-3-yl)ethanol
SMILESNc1cc(I)nnc1CCO
InChIInChI=1S/C6H8IN3O/c7-6-3-4(8)5(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,10)
InChIKeyPWJFPOSEAUDPBX-UHFFFAOYSA-N
XLogP0.20
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-iodopyridazin-3-yl)ethanol?
The IUPAC name of 2-(4-amino-6-iodopyridazin-3-yl)ethanol (CID 87507139) is 2-(4-amino-6-iodopyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(4-amino-6-iodopyridazin-3-yl)ethanol?
The canonical SMILES for 2-(4-amino-6-iodopyridazin-3-yl)ethanol is Nc1cc(I)nnc1CCO.
What is the InChIKey of 2-(4-amino-6-iodopyridazin-3-yl)ethanol?
The InChIKey is PWJFPOSEAUDPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c7-6-3-4(8)5(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,10).
What are the key properties of 2-(4-amino-6-iodopyridazin-3-yl)ethanol?
2-(4-amino-6-iodopyridazin-3-yl)ethanol has a molecular weight of 265.05 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-iodopyridazin-3-yl)ethanol is sourced from PubChem (CID 87507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).