2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H8ClFN2O2 — CID 55218177

IUPAC2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyMUOHVGGNJLEDMQ-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.24
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 55218177) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID55218177
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyMUOHVGGNJLEDMQ-UHFFFAOYSA-N
XLogP2.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 55218177) is 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MUOHVGGNJLEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 254.65 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55218177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).