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

C5H3BrF2N2O — CID 66310841

IUPAC5-bromo-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1C(F)F
InChIInChI=1S/C5H3BrF2N2O/c6-3-1-9-2-10(4(3)11)5(7)8/h1-2,5H
InChIKeyJLSVGGCPKQVHEQ-UHFFFAOYSA-N
MW224.99 g/mol
LogP1.40
Rot. Bonds1

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

5-bromo-3-(difluoromethyl)pyrimidin-4-one (PubChem CID 66310841) has the molecular formula C5H3BrF2N2O and a molecular weight of 224.99 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)pyrimidin-4-one
PubChem CID66310841
Molecular FormulaC5H3BrF2N2O
Molecular Weight224.99 g/mol
Exact Mass223.94
IUPAC Name5-bromo-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1C(F)F
InChIInChI=1S/C5H3BrF2N2O/c6-3-1-9-2-10(4(3)11)5(7)8/h1-2,5H
InChIKeyJLSVGGCPKQVHEQ-UHFFFAOYSA-N
XLogP1.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(difluoromethyl)pyrimidin-4-one (CID 66310841) is 5-bromo-3-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(difluoromethyl)pyrimidin-4-one is O=c1c(Br)cncn1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)pyrimidin-4-one?
The InChIKey is JLSVGGCPKQVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2N2O/c6-3-1-9-2-10(4(3)11)5(7)8/h1-2,5H.
What are the key properties of 5-bromo-3-(difluoromethyl)pyrimidin-4-one?
5-bromo-3-(difluoromethyl)pyrimidin-4-one has a molecular weight of 224.99 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 66310841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).