5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride

C5H2ClFN2O3 — CID 14451336

IUPAC5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
SMILESO=C(Cl)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H2ClFN2O3/c6-4(11)9-1-2(7)3(10)8-5(9)12/h1H,(H,8,10,12)
InChIKeyUCCCNAVMLDLYQC-UHFFFAOYSA-N
MW192.53 g/mol
LogP-0.12
Rot. Bonds

About 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride

5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride (PubChem CID 14451336) has the molecular formula C5H2ClFN2O3 and a molecular weight of 192.53 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride.

Molecular Properties

Compound Name5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
PubChem CID14451336
Molecular FormulaC5H2ClFN2O3
Molecular Weight192.53 g/mol
Exact Mass191.97
IUPAC Name5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
SMILESO=C(Cl)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H2ClFN2O3/c6-4(11)9-1-2(7)3(10)8-5(9)12/h1H,(H,8,10,12)
InChIKeyUCCCNAVMLDLYQC-UHFFFAOYSA-N
XLogP-0.12
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.53
LogP ≤ 5-0.12
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 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride?
The IUPAC name of 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride (CID 14451336) is 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride.
What is the SMILES notation for 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride?
The canonical SMILES for 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride is O=C(Cl)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride?
The InChIKey is UCCCNAVMLDLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O3/c6-4(11)9-1-2(7)3(10)8-5(9)12/h1H,(H,8,10,12).
What are the key properties of 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride?
5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride has a molecular weight of 192.53 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride is sourced from PubChem (CID 14451336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).