2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid

C7H7FN2O4 — CID 81298642

IUPAC2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
SMILESCn1ccc(=O)n(C(F)C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O4/c1-9-3-2-4(11)10(7(9)14)5(8)6(12)13/h2-3,5H,1H3,(H,12,13)
InChIKeyZYSNXCOHLRXXJG-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.90
Rot. Bonds2

About 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid

2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid (PubChem CID 81298642) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
PubChem CID81298642
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
SMILESCn1ccc(=O)n(C(F)C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O4/c1-9-3-2-4(11)10(7(9)14)5(8)6(12)13/h2-3,5H,1H3,(H,12,13)
InChIKeyZYSNXCOHLRXXJG-UHFFFAOYSA-N
XLogP-0.90
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 16774570
Fluorouracil-1-acetic acid
CID 141092594
5-Fluorouracil-acetic acid
CID 12844136
N-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carbonyl)glycine
CID 15725928
2-Fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
CID 81297160
3-Ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid
CID 90016818
Fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 174539887
2-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
CID 53328705
Ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 81296389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid (CID 81298642) is 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid is Cn1ccc(=O)n(C(F)C(=O)O)c1=O.
What is the InChIKey of 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is ZYSNXCOHLRXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-9-3-2-4(11)10(7(9)14)5(8)6(12)13/h2-3,5H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 202.14 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81298642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).