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

C10H6BrFN2O2 — CID 107281013

IUPAC2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)cc2Br)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-7-3-5(12)1-2-6(7)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyTWHXMOZQRDBQFN-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.04
Rot. Bonds1

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

2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 107281013) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID107281013
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)cc2Br)[nH]1
InChIInChI=1S/C10H6BrFN2O2/c11-7-3-5(12)1-2-6(7)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyTWHXMOZQRDBQFN-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

Analyze 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 107281013) is 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(F)cc2Br)[nH]1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is TWHXMOZQRDBQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-7-3-5(12)1-2-6(7)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-bromo-4-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-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 107281013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).