5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione

C10H7FN2O3 — CID 53222269

IUPAC5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(F)cc2O)c(=O)[nH]1
InChIInChI=1S/C10H7FN2O3/c11-5-1-2-6(8(14)3-5)7-4-12-10(16)13-9(7)15/h1-4,14H,(H2,12,13,15,16)
InChIKeyPGIBYTARHJUOMQ-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.57
Rot. Bonds1

About 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione

5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222269) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222269
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(F)cc2O)c(=O)[nH]1
InChIInChI=1S/C10H7FN2O3/c11-5-1-2-6(8(14)3-5)7-4-12-10(16)13-9(7)15/h1-4,14H,(H2,12,13,15,16)
InChIKeyPGIBYTARHJUOMQ-UHFFFAOYSA-N
XLogP0.57
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione (CID 53222269) is 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2ccc(F)cc2O)c(=O)[nH]1.
What is the InChIKey of 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PGIBYTARHJUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-5-1-2-6(8(14)3-5)7-4-12-10(16)13-9(7)15/h1-4,14H,(H2,12,13,15,16).
What are the key properties of 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione?
5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 222.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-hydroxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).