3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one

C7H5Cl2IN2O — CID 79173191

IUPAC3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC(Cl)=CCl
InChIInChI=1S/C7H5Cl2IN2O/c8-1-5(9)3-12-4-11-2-6(10)7(12)13/h1-2,4H,3H2
InChIKeyGIFMNFPXWIYQHF-UHFFFAOYSA-N
MW330.94 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one

3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one (PubChem CID 79173191) has the molecular formula C7H5Cl2IN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one
PubChem CID79173191
Molecular FormulaC7H5Cl2IN2O
Molecular Weight330.94 g/mol
Exact Mass329.88
IUPAC Name3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CC(Cl)=CCl
InChIInChI=1S/C7H5Cl2IN2O/c8-1-5(9)3-12-4-11-2-6(10)7(12)13/h1-2,4H,3H2
InChIKeyGIFMNFPXWIYQHF-UHFFFAOYSA-N
XLogP2.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one (CID 79173191) is 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one?
The InChIKey is GIFMNFPXWIYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2IN2O/c8-1-5(9)3-12-4-11-2-6(10)7(12)13/h1-2,4H,3H2.
What are the key properties of 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one?
3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one has a molecular weight of 330.94 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroprop-2-enyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 79173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).