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

C10H6BrFN2O — CID 90403572

IUPAC2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C10H6BrFN2O/c11-6-1-2-7(8(12)5-6)10-13-4-3-9(15)14-10/h1-5H,(H,13,14,15)
InChIKeyVNOPLTTWLSKZLV-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.34
Rot. Bonds1

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

2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 90403572) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID90403572
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C10H6BrFN2O/c11-6-1-2-7(8(12)5-6)10-13-4-3-9(15)14-10/h1-5H,(H,13,14,15)
InChIKeyVNOPLTTWLSKZLV-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenyl)-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-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one (CID 90403572) is 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one is O=c1ccnc(-c2ccc(Br)cc2F)[nH]1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is VNOPLTTWLSKZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-6-1-2-7(8(12)5-6)10-13-4-3-9(15)14-10/h1-5H,(H,13,14,15).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one?
2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 269.07 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 90403572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).