3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid

C6H5FN2O4 — CID 67913366

IUPAC3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1CF
InChIInChI=1S/C6H5FN2O4/c7-2-9-3(5(11)12)1-4(10)8-6(9)13/h1H,2H2,(H,11,12)(H,8,10,13)
InChIKeyVCXJZWBCJCOHCP-UHFFFAOYSA-N
MW188.11 g/mol
LogP-0.84
Rot. Bonds2

About 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid

3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid (PubChem CID 67913366) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid
PubChem CID67913366
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1CF
InChIInChI=1S/C6H5FN2O4/c7-2-9-3(5(11)12)1-4(10)8-6(9)13/h1H,2H2,(H,11,12)(H,8,10,13)
InChIKeyVCXJZWBCJCOHCP-UHFFFAOYSA-N
XLogP-0.84
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The IUPAC name of 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid (CID 67913366) is 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The canonical SMILES for 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)n1CF.
What is the InChIKey of 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
The InChIKey is VCXJZWBCJCOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c7-2-9-3(5(11)12)1-4(10)8-6(9)13/h1H,2H2,(H,11,12)(H,8,10,13).
What are the key properties of 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid?
3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid has a molecular weight of 188.11 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2,6-dioxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 67913366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).