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

C9H10BrFN2O3 — CID 125478680

IUPAC1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
SMILESO=C(CCCCBr)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10BrFN2O3/c10-4-2-1-3-7(14)13-5-6(11)8(15)12-9(13)16/h5H,1-4H2,(H,12,15,16)
InChIKeySSNSOHSAOMYQKP-UHFFFAOYSA-N
MW293.09 g/mol
LogP0.88
Rot. Bonds4

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

1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 125478680) has the molecular formula C9H10BrFN2O3 and a molecular weight of 293.09 g/mol. Its IUPAC name is 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
PubChem CID125478680
Molecular FormulaC9H10BrFN2O3
Molecular Weight293.09 g/mol
Exact Mass291.99
IUPAC Name1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
SMILESO=C(CCCCBr)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10BrFN2O3/c10-4-2-1-3-7(14)13-5-6(11)8(15)12-9(13)16/h5H,1-4H2,(H,12,15,16)
InChIKeySSNSOHSAOMYQKP-UHFFFAOYSA-N
XLogP0.88
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione (CID 125478680) is 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione is O=C(CCCCBr)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is SSNSOHSAOMYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O3/c10-4-2-1-3-7(14)13-5-6(11)8(15)12-9(13)16/h5H,1-4H2,(H,12,15,16).
What are the key properties of 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione?
1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 293.09 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 125478680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).