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

C10H4BrF3N2O2 — CID 66286560

IUPAC5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)c(F)c(F)c2)nc(O)c1Br
InChIInChI=1S/C10H4BrF3N2O2/c11-6-9(17)15-8(16-10(6)18)3-1-4(12)7(14)5(13)2-3/h1-2H,(H2,15,16,17,18)
InChIKeySUIUSXSHQVJLPN-UHFFFAOYSA-N
MW321.05 g/mol
LogP2.32
Rot. Bonds1

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

5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one (PubChem CID 66286560) has the molecular formula C10H4BrF3N2O2 and a molecular weight of 321.05 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
PubChem CID66286560
Molecular FormulaC10H4BrF3N2O2
Molecular Weight321.05 g/mol
Exact Mass319.94
IUPAC Name5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)c(F)c(F)c2)nc(O)c1Br
InChIInChI=1S/C10H4BrF3N2O2/c11-6-9(17)15-8(16-10(6)18)3-1-4(12)7(14)5(13)2-3/h1-2H,(H2,15,16,17,18)
InChIKeySUIUSXSHQVJLPN-UHFFFAOYSA-N
XLogP2.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one (CID 66286560) is 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(F)c(F)c(F)c2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is SUIUSXSHQVJLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF3N2O2/c11-6-9(17)15-8(16-10(6)18)3-1-4(12)7(14)5(13)2-3/h1-2H,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 321.05 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(3,4,5-trifluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).