2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H7FN2O2 — CID 63612926

IUPAC2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)10-12-8(14)5-9(15)13-10/h1-5H,(H2,12,13,14,15)
InChIKeyBEFGFESICKIORK-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.28
Rot. Bonds1

About 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63612926) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63612926
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)10-12-8(14)5-9(15)13-10/h1-5H,(H2,12,13,14,15)
InChIKeyBEFGFESICKIORK-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 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63612926) is 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BEFGFESICKIORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)10-12-8(14)5-9(15)13-10/h1-5H,(H2,12,13,14,15).
What are the key properties of 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(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 2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63612926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).