2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one

C8H8ClIN2O — CID 106439740

IUPAC2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one
SMILESCC(=CCl)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H8ClIN2O/c1-6(3-9)5-12-8(13)2-7(10)4-11-12/h2-4H,5H2,1H3
InChIKeyVULAHZPBSYDHGU-UHFFFAOYSA-N
MW310.52 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one

2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one (PubChem CID 106439740) has the molecular formula C8H8ClIN2O and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one
PubChem CID106439740
Molecular FormulaC8H8ClIN2O
Molecular Weight310.52 g/mol
Exact Mass309.94
IUPAC Name2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one
SMILESCC(=CCl)Cn1ncc(I)cc1=O
InChIInChI=1S/C8H8ClIN2O/c1-6(3-9)5-12-8(13)2-7(10)4-11-12/h2-4H,5H2,1H3
InChIKeyVULAHZPBSYDHGU-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 51.99
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-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4-(Chloromethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 141026323
4-Chloro-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 151182962
5-Chloro-2-(1-chloroethyl)pyridazin-3-one
CID 172106976
5-Chloro-4-methyl-2-propylpyridazin-3-one
CID 172732113
2-(3-Chloro-2-methylpropyl)pyridazin-3-one
CID 64231830
2-[2-(Chloromethyl)prop-2-enyl]pyridazin-3-one
CID 103065765
4,5-Dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
CID 106439739
2-(4-Chlorobutyl)-5-methylpyridazin-3-one
CID 106548468
2-(3-Chloro-2-methylpropyl)-5-methylpyridazin-3-one
CID 106548470
2-[2-(Chloromethyl)prop-2-enyl]-5-methylpyridazin-3-one
CID 106548477
2-(2-Chloroethyl)-5-methylpyridazin-3-one
CID 106548480

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one (CID 106439740) is 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one is CC(=CCl)Cn1ncc(I)cc1=O.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one?
The InChIKey is VULAHZPBSYDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIN2O/c1-6(3-9)5-12-8(13)2-7(10)4-11-12/h2-4H,5H2,1H3.
What are the key properties of 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one?
2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one has a molecular weight of 310.52 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 106439740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).