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

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Related Compounds

2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 107281016
4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 137004922
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63613424
4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 160836213
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
2-(2-bromo-4-fluorophenyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206213
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
CID 63612263
CID 146598306
CID 146598306
2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157123824

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).