5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one

C12H8ClFN2O2 — CID 12795547

IUPAC5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cc(Cl)cnc1=O)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-15-12(18)16(6-9)7-11(17)8-1-3-10(14)4-2-8/h1-6H,7H2
InChIKeyXTYALVROLLFIAA-UHFFFAOYSA-N
MW266.66 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one

5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 12795547) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
PubChem CID12795547
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cc(Cl)cnc1=O)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-15-12(18)16(6-9)7-11(17)8-1-3-10(14)4-2-8/h1-6H,7H2
InChIKeyXTYALVROLLFIAA-UHFFFAOYSA-N
XLogP1.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one (CID 12795547) is 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cc(Cl)cnc1=O)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is XTYALVROLLFIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-5-15-12(18)16(6-9)7-11(17)8-1-3-10(14)4-2-8/h1-6H,7H2.
What are the key properties of 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one?
5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 266.66 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 12795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).