(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate

C12H12FN3O4 — CID 15680056

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
SMILESCN1C=CCC(C(=O)OCn2cc(F)c(=O)[nH]c2=O)=C1
InChIInChI=1S/C12H12FN3O4/c1-15-4-2-3-8(5-15)11(18)20-7-16-6-9(13)10(17)14-12(16)19/h2,4-6H,3,7H2,1H3,(H,14,17,19)
InChIKeyKWTRXUIRMOLIFF-UHFFFAOYSA-N
MW281.24 g/mol
LogP-0.09
Rot. Bonds3

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate (PubChem CID 15680056) has the molecular formula C12H12FN3O4 and a molecular weight of 281.24 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
PubChem CID15680056
Molecular FormulaC12H12FN3O4
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
SMILESCN1C=CCC(C(=O)OCn2cc(F)c(=O)[nH]c2=O)=C1
InChIInChI=1S/C12H12FN3O4/c1-15-4-2-3-8(5-15)11(18)20-7-16-6-9(13)10(17)14-12(16)19/h2,4-6H,3,7H2,1H3,(H,14,17,19)
InChIKeyKWTRXUIRMOLIFF-UHFFFAOYSA-N
XLogP-0.09
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate (CID 15680056) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate is CN1C=CCC(C(=O)OCn2cc(F)c(=O)[nH]c2=O)=C1.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The InChIKey is KWTRXUIRMOLIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4/c1-15-4-2-3-8(5-15)11(18)20-7-16-6-9(13)10(17)14-12(16)19/h2,4-6H,3,7H2,1H3,(H,14,17,19).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate has a molecular weight of 281.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 15680056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).