2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide

C6H4BrFN2O3 — CID 141161926

IUPAC2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide
SMILESO=C(Br)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-4(11)2-10-5(12)3(8)1-9-6(10)13/h1H,2H2,(H,9,13)
InChIKeyLWVCBKKEVDPAKD-UHFFFAOYSA-N
MW251.01 g/mol
LogP-0.40
Rot. Bonds2

About 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide

2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide (PubChem CID 141161926) has the molecular formula C6H4BrFN2O3 and a molecular weight of 251.01 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide
PubChem CID141161926
Molecular FormulaC6H4BrFN2O3
Molecular Weight251.01 g/mol
Exact Mass249.94
IUPAC Name2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide
SMILESO=C(Br)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-4(11)2-10-5(12)3(8)1-9-6(10)13/h1H,2H2,(H,9,13)
InChIKeyLWVCBKKEVDPAKD-UHFFFAOYSA-N
XLogP-0.40
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.01
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide?
The IUPAC name of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide (CID 141161926) is 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide is O=C(Br)Cn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide?
The InChIKey is LWVCBKKEVDPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O3/c7-4(11)2-10-5(12)3(8)1-9-6(10)13/h1H,2H2,(H,9,13).
What are the key properties of 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide?
2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide has a molecular weight of 251.01 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide is sourced from PubChem (CID 141161926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).