5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H7FN2O2 — CID 79438996

IUPAC5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1cccc(F)c1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChIKeyAYXGZGAOBDQLSM-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.28
Rot. Bonds1

About 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438996) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438996
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1-c1cccc(F)c1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChIKeyAYXGZGAOBDQLSM-UHFFFAOYSA-N
XLogP1.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438996) is 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AYXGZGAOBDQLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 206.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).