5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

C11H9FN2O5 — CID 63556794

IUPAC5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(Cn2cc(F)c(=O)[nH]c2=O)cc1C(=O)O
InChIInChI=1S/C11H9FN2O5/c1-5-7(10(16)17)2-6(19-5)3-14-4-8(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyILETUQKYONFBDH-UHFFFAOYSA-N
MW268.20 g/mol
LogP0.32
Rot. Bonds3

About 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 63556794) has the molecular formula C11H9FN2O5 and a molecular weight of 268.20 g/mol. Its IUPAC name is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID63556794
Molecular FormulaC11H9FN2O5
Molecular Weight268.20 g/mol
Exact Mass268.05
IUPAC Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(Cn2cc(F)c(=O)[nH]c2=O)cc1C(=O)O
InChIInChI=1S/C11H9FN2O5/c1-5-7(10(16)17)2-6(19-5)3-14-4-8(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyILETUQKYONFBDH-UHFFFAOYSA-N
XLogP0.32
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (CID 63556794) is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(Cn2cc(F)c(=O)[nH]c2=O)cc1C(=O)O.
What is the InChIKey of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is ILETUQKYONFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O5/c1-5-7(10(16)17)2-6(19-5)3-14-4-8(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 268.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 63556794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).