5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one

C5H2BrClF2N2O — CID 114583482

IUPAC5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2BrClF2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H
InChIKeyLTRLMYMAPUYIHE-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.05
Rot. Bonds1

About 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one (PubChem CID 114583482) has the molecular formula C5H2BrClF2N2O and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one
PubChem CID114583482
Molecular FormulaC5H2BrClF2N2O
Molecular Weight259.44 g/mol
Exact Mass257.90
IUPAC Name5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2BrClF2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H
InChIKeyLTRLMYMAPUYIHE-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one
CID 15058925
5-Bromo-6-chloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705730
5-Bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583338
5-Bromo-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114583350
5-Bromo-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583441
5-Bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583505
5-Bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583599
5-Bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one (CID 114583482) is 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1C(F)F.
What is the InChIKey of 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The InChIKey is LTRLMYMAPUYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClF2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H.
What are the key properties of 5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one has a molecular weight of 259.44 g/mol, XLogP of 2.05, 1 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-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 114583482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).