methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate

C7H7FN2O4 — CID 174382862

IUPACmethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-14-6(12)4(8)3-2-9-7(13)10-5(3)11/h2,4H,1H3,(H2,9,10,11,13)
InChIKeyQAULIZCBNZICBU-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.75
Rot. Bonds2

About methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate

methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate (PubChem CID 174382862) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate
PubChem CID174382862
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-14-6(12)4(8)3-2-9-7(13)10-5(3)11/h2,4H,1H3,(H2,9,10,11,13)
InChIKeyQAULIZCBNZICBU-UHFFFAOYSA-N
XLogP-0.75
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate (CID 174382862) is methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate is COC(=O)C(F)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate?
The InChIKey is QAULIZCBNZICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-14-6(12)4(8)3-2-9-7(13)10-5(3)11/h2,4H,1H3,(H2,9,10,11,13).
What are the key properties of methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate?
methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate has a molecular weight of 202.14 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetate is sourced from PubChem (CID 174382862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).