5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione

C9H7FN4O6 — CID 161103546

IUPAC5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1F.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H3FN2O4.C4H4N2O2/c6-1-2(4(10)11)7-5(12)8-3(1)9;7-3-1-2-5-4(8)6-3/h(H,10,11)(H2,7,8,9,12);1-2H,(H2,5,6,7,8)
InChIKeyUITFCPXJIURLCR-UHFFFAOYSA-N
MW286.18 g/mol
LogP-2.04
Rot. Bonds1

About 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione

5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione (PubChem CID 161103546) has the molecular formula C9H7FN4O6 and a molecular weight of 286.18 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione
PubChem CID161103546
Molecular FormulaC9H7FN4O6
Molecular Weight286.18 g/mol
Exact Mass286.03
IUPAC Name5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1F.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H3FN2O4.C4H4N2O2/c6-1-2(4(10)11)7-5(12)8-3(1)9;7-3-1-2-5-4(8)6-3/h(H,10,11)(H2,7,8,9,12);1-2H,(H2,5,6,7,8)
InChIKeyUITFCPXJIURLCR-UHFFFAOYSA-N
XLogP-2.04
TPSA168.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

Orotic acid, gallium salt (3:2), hemihydrate
CID 54604023
acetic acid;1H-pyrimidine-2,4-dione
CID 21112404
CID 157397533
CID 157397533
lithium;hydride;1H-pyrimidine-2,4-dione
CID 175507563
acetylene;1H-pyrimidine-2,4-dione
CID 158617730
magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride
CID 174262813
propane;1H-pyrimidine-2,4-dione
CID 19366284
2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione
CID 70273324
prop-1-yne;1H-pyrimidine-2,4-dione
CID 19366285
methylhydrazine;1H-pyrimidine-2,4-dione
CID 70486662
5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 91605826
anthracene;1H-pyrimidine-2,4-dione
CID 160812079

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione (CID 161103546) is 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione is O=C(O)c1[nH]c(=O)[nH]c(=O)c1F.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione?
The InChIKey is UITFCPXJIURLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O4.C4H4N2O2/c6-1-2(4(10)11)7-5(12)8-3(1)9;7-3-1-2-5-4(8)6-3/h(H,10,11)(H2,7,8,9,12);1-2H,(H2,5,6,7,8).
What are the key properties of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione?
5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione has a molecular weight of 286.18 g/mol, XLogP of -2.04, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 161103546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).