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

C11H8FN3O4 — CID 15680052

IUPAC(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCn1c(=O)[nH]cc(F)c1=O)c1cccnc1
InChIInChI=1S/C11H8FN3O4/c12-8-5-14-11(18)15(9(8)16)6-19-10(17)7-2-1-3-13-4-7/h1-5H,6H2,(H,14,18)
InChIKeyDBXLUNRLGXHRMZ-UHFFFAOYSA-N
MW265.20 g/mol
LogP-0.11
Rot. Bonds3

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

(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate (PubChem CID 15680052) has the molecular formula C11H8FN3O4 and a molecular weight of 265.20 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate
PubChem CID15680052
Molecular FormulaC11H8FN3O4
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCn1c(=O)[nH]cc(F)c1=O)c1cccnc1
InChIInChI=1S/C11H8FN3O4/c12-8-5-14-11(18)15(9(8)16)6-19-10(17)7-2-1-3-13-4-7/h1-5H,6H2,(H,14,18)
InChIKeyDBXLUNRLGXHRMZ-UHFFFAOYSA-N
XLogP-0.11
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
CID 51031907
CID 51031907
5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
CID 139330532
2-oxoethyl pyridine-3-carboxylate
CID 54542225
2-oxopropyl pyridine-3-carboxylate
CID 69192363
2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174924266
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265
(111C)methyl pyridine-3-carboxylate
CID 11309537
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate?
The IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate (CID 15680052) is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate?
The canonical SMILES for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate is O=C(OCn1c(=O)[nH]cc(F)c1=O)c1cccnc1.
What is the InChIKey of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate?
The InChIKey is DBXLUNRLGXHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4/c12-8-5-14-11(18)15(9(8)16)6-19-10(17)7-2-1-3-13-4-7/h1-5H,6H2,(H,14,18).
What are the key properties of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate?
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate has a molecular weight of 265.20 g/mol, XLogP of -0.11, 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-dioxo-1H-pyrimidin-3-yl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 15680052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).