5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one

C11H10IN3O2 — CID 114553619

IUPAC5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(I)cc2=O)n1
InChIInChI=1S/C11H10IN3O2/c1-17-10-4-2-3-9(14-10)7-15-11(16)5-8(12)6-13-15/h2-6H,7H2,1H3
InChIKeyZNVYNDDBQZPMRV-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.30
Rot. Bonds3

About 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one

5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one (PubChem CID 114553619) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
PubChem CID114553619
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(I)cc2=O)n1
InChIInChI=1S/C11H10IN3O2/c1-17-10-4-2-3-9(14-10)7-15-11(16)5-8(12)6-13-15/h2-6H,7H2,1H3
InChIKeyZNVYNDDBQZPMRV-UHFFFAOYSA-N
XLogP1.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one (CID 114553619) is 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one is COc1cccc(Cn2ncc(I)cc2=O)n1.
What is the InChIKey of 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is ZNVYNDDBQZPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-17-10-4-2-3-9(14-10)7-15-11(16)5-8(12)6-13-15/h2-6H,7H2,1H3.
What are the key properties of 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one?
5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 343.12 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 114553619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).