5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one

C7H5BrCl2N2O — CID 79172989

IUPAC5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC(Cl)=CCl
InChIInChI=1S/C7H5BrCl2N2O/c8-6-2-11-4-12(7(6)13)3-5(10)1-9/h1-2,4H,3H2
InChIKeyCILOAWRYODDEIX-UHFFFAOYSA-N
MW283.94 g/mol
LogP2.32
Rot. Bonds2

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

5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one (PubChem CID 79172989) has the molecular formula C7H5BrCl2N2O and a molecular weight of 283.94 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
PubChem CID79172989
Molecular FormulaC7H5BrCl2N2O
Molecular Weight283.94 g/mol
Exact Mass281.90
IUPAC Name5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC(Cl)=CCl
InChIInChI=1S/C7H5BrCl2N2O/c8-6-2-11-4-12(7(6)13)3-5(10)1-9/h1-2,4H,3H2
InChIKeyCILOAWRYODDEIX-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.94
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one (CID 79172989) is 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one is O=c1c(Br)cncn1CC(Cl)=CCl.
What is the InChIKey of 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The InChIKey is CILOAWRYODDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2N2O/c8-6-2-11-4-12(7(6)13)3-5(10)1-9/h1-2,4H,3H2.
What are the key properties of 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one has a molecular weight of 283.94 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 79172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).