(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate

C12H12FN3O4 — CID 23196632

IUPAC(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
SMILESCN1C=CCC(C(=O)OCn2c(=O)ccn(F)c2=O)=C1
InChIInChI=1S/C12H12FN3O4/c1-14-5-2-3-9(7-14)11(18)20-8-15-10(17)4-6-16(13)12(15)19/h2,4-7H,3,8H2,1H3
InChIKeyYZZGTAMXGDTYHS-UHFFFAOYSA-N
MW281.24 g/mol
LogP-0.02
Rot. Bonds3

About (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate

(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate (PubChem CID 23196632) has the molecular formula C12H12FN3O4 and a molecular weight of 281.24 g/mol. Its IUPAC name is (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
PubChem CID23196632
Molecular FormulaC12H12FN3O4
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
SMILESCN1C=CCC(C(=O)OCn2c(=O)ccn(F)c2=O)=C1
InChIInChI=1S/C12H12FN3O4/c1-14-5-2-3-9(7-14)11(18)20-8-15-10(17)4-6-16(13)12(15)19/h2,4-7H,3,8H2,1H3
InChIKeyYZZGTAMXGDTYHS-UHFFFAOYSA-N
XLogP-0.02
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
CID 15680056
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl 1-methyl-4H-pyridine-3-carboxylate
CID 15680059
1-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 1,4-dihydropyridine-3-carboxylate
CID 23196621
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1,4-dihydropyridine-3-carboxylate
CID 23196634
1-(3-Fluoro-2,6-dioxopyrimidin-1-yl)ethyl 1,4-dihydropyridine-3-carboxylate
CID 88354690
[2,6-Dioxo-3-(1,1,2,2,2-pentafluoroethyl)pyrimidin-1-yl]methyl 2-methylprop-2-enoate
CID 169034548
(3-Ethyl-2,6-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
CID 169034382
(3-Ethyl-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
CID 169034428
methyl (E)-3-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]prop-2-enoate
CID 102237713

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The IUPAC name of (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate (CID 23196632) is (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The canonical SMILES for (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate is CN1C=CCC(C(=O)OCn2c(=O)ccn(F)c2=O)=C1.
What is the InChIKey of (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
The InChIKey is YZZGTAMXGDTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4/c1-14-5-2-3-9(7-14)11(18)20-8-15-10(17)4-6-16(13)12(15)19/h2,4-7H,3,8H2,1H3.
What are the key properties of (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate?
(3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate has a molecular weight of 281.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2,6-dioxopyrimidin-1-yl)methyl 1-methyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 23196632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).