5-iodo-2-(3-methylphenyl)pyridazin-3-one

C11H9IN2O — CID 24997710

IUPAC5-iodo-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(I)cc2=O)c1
InChIInChI=1S/C11H9IN2O/c1-8-3-2-4-10(5-8)14-11(15)6-9(12)7-13-14/h2-7H,1H3
InChIKeyYWXWTAZKSGJMER-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.15
Rot. Bonds1

About 5-iodo-2-(3-methylphenyl)pyridazin-3-one

5-iodo-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 24997710) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 5-iodo-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(3-methylphenyl)pyridazin-3-one
PubChem CID24997710
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name5-iodo-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(I)cc2=O)c1
InChIInChI=1S/C11H9IN2O/c1-8-3-2-4-10(5-8)14-11(15)6-9(12)7-13-14/h2-7H,1H3
InChIKeyYWXWTAZKSGJMER-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one;4,5-diiodo-2-(3-methylphenyl)pyridazin-3-one;5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 161039142
5-iodo-2-pyridin-4-ylpyridazin-3-one
CID 177208017
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
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1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
CID 82421723
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
6-bromo-1-(3-methylphenyl)indazole
CID 142432399
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(3-methylphenyl)pyridazin-3-one (CID 24997710) is 5-iodo-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(3-methylphenyl)pyridazin-3-one is Cc1cccc(-n2ncc(I)cc2=O)c1.
What is the InChIKey of 5-iodo-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is YWXWTAZKSGJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c1-8-3-2-4-10(5-8)14-11(15)6-9(12)7-13-14/h2-7H,1H3.
What are the key properties of 5-iodo-2-(3-methylphenyl)pyridazin-3-one?
5-iodo-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 312.11 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 24997710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).