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

C10H6BrFN2O2 — CID 66424215

IUPAC2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2cc(F)cc(Br)c2)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-6-1-5(2-7(12)3-6)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyQZSHHLFARUGDBE-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.04
Rot. Bonds1

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

2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66424215) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66424215
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2cc(F)cc(Br)c2)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-6-1-5(2-7(12)3-6)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyQZSHHLFARUGDBE-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.04
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-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66424215) is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2cc(F)cc(Br)c2)[nH]1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QZSHHLFARUGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-6-1-5(2-7(12)3-6)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-bromo-5-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 285.07 g/mol, XLogP of 2.04, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 66424215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).