1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione

C6H4BrFN2O3 — CID 15707752

IUPAC1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione
SMILESO=C(CBr)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-1-4(11)10-2-3(8)5(12)9-6(10)13/h2H,1H2,(H,9,12,13)
InChIKeyQLPOUDXQGRNQSG-UHFFFAOYSA-N
MW251.01 g/mol
LogP-0.29
Rot. Bonds1

About 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione

1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 15707752) has the molecular formula C6H4BrFN2O3 and a molecular weight of 251.01 g/mol. Its IUPAC name is 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione
PubChem CID15707752
Molecular FormulaC6H4BrFN2O3
Molecular Weight251.01 g/mol
Exact Mass249.94
IUPAC Name1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione
SMILESO=C(CBr)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-1-4(11)10-2-3(8)5(12)9-6(10)13/h2H,1H2,(H,9,12,13)
InChIKeyQLPOUDXQGRNQSG-UHFFFAOYSA-N
XLogP-0.29
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.01
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione (CID 15707752) is 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione is O=C(CBr)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is QLPOUDXQGRNQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O3/c7-1-4(11)10-2-3(8)5(12)9-6(10)13/h2H,1H2,(H,9,12,13).
What are the key properties of 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione?
1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 251.01 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoacetyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 15707752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).