2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C10H6ClFN2O2 — CID 58134378

IUPAC2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc(O)c1F
InChIInChI=1S/C10H6ClFN2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16)
InChIKeyRSNOAIUYMSQSCR-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.93
Rot. Bonds1

About 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 58134378) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID58134378
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc(O)c1F
InChIInChI=1S/C10H6ClFN2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16)
InChIKeyRSNOAIUYMSQSCR-UHFFFAOYSA-N
XLogP1.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 58134378) is 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc(O)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RSNOAIUYMSQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16).
What are the key properties of 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 240.62 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 58134378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).