5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one

C6H4BrClF2N2O — CID 114583505

IUPAC5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC(F)F
InChIInChI=1S/C6H4BrClF2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2
InChIKeyHKERSBBESYXMDF-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.92
Rot. Bonds2

About 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one (PubChem CID 114583505) has the molecular formula C6H4BrClF2N2O and a molecular weight of 273.46 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
PubChem CID114583505
Molecular FormulaC6H4BrClF2N2O
Molecular Weight273.46 g/mol
Exact Mass271.92
IUPAC Name5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC(F)F
InChIInChI=1S/C6H4BrClF2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2
InChIKeyHKERSBBESYXMDF-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 66307880
5-Bromo-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 66308916
5-Bromo-3-ethyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 156479955
5-Bromo-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 66308335
5-Bromo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 66310852
5-Bromo-3-(2,2-difluoroethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 66310885
5-Bromo-3-(2-fluoroethyl)pyrimidin-4-one
CID 80694151
5-Bromo-6-chloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705730
6-Chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582055
6-Chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582209
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5-Bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one (CID 114583505) is 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CC(F)F.
What is the InChIKey of 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
The InChIKey is HKERSBBESYXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClF2N2O/c7-4-5(8)11-2-12(6(4)13)1-3(9)10/h2-3H,1H2.
What are the key properties of 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one has a molecular weight of 273.46 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 114583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).