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

C11H8ClFN2O3 — CID 58134290

IUPAC2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O3/c1-18-8-10(16)14-9(15-11(8)17)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyVLBBGJQCOGKXCA-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.94
Rot. Bonds2

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

2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 58134290) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID58134290
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O3/c1-18-8-10(16)14-9(15-11(8)17)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyVLBBGJQCOGKXCA-UHFFFAOYSA-N
XLogP1.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one (CID 58134290) is 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is COc1c(O)nc(-c2ccc(Cl)c(F)c2)[nH]c1=O.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VLBBGJQCOGKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-18-8-10(16)14-9(15-11(8)17)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 270.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 58134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).