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

C11H8BrFN2O2 — CID 66424216

IUPAC2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O
InChIInChI=1S/C11H8BrFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyJKTYLPTXSJNFKM-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.35
Rot. Bonds1

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

2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 66424216) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID66424216
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O
InChIInChI=1S/C11H8BrFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyJKTYLPTXSJNFKM-UHFFFAOYSA-N
XLogP2.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 66424216) is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JKTYLPTXSJNFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-5-10(16)14-9(15-11(5)17)6-2-7(12)4-8(13)3-6/h2-4H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 299.10 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66424216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).