5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde

C9H9FN2O5 — CID 123909297

IUPAC5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
SMILESO=CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O
InChIInChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-4,6-8,15H,(H,11,14,16)
InChIKeyIGTQNIOWOSUWJG-UHFFFAOYSA-N
MW244.18 g/mol
LogP-1.67
Rot. Bonds2

About 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde

5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde (PubChem CID 123909297) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
PubChem CID123909297
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
SMILESO=CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O
InChIInChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-4,6-8,15H,(H,11,14,16)
InChIKeyIGTQNIOWOSUWJG-UHFFFAOYSA-N
XLogP-1.67
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid
CID 68594152
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 71340660
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
CID 169252384
1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
CID 163773061
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde?
The IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde (CID 123909297) is 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde.
What is the SMILES notation for 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde?
The canonical SMILES for 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde is O=CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O.
What is the InChIKey of 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde?
The InChIKey is IGTQNIOWOSUWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-4,6-8,15H,(H,11,14,16).
What are the key properties of 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde?
5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde has a molecular weight of 244.18 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde is sourced from PubChem (CID 123909297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).