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

C10H6BrFN2O2 — CID 66285357

IUPAC5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc(O)c1Br
InChIInChI=1S/C10H6BrFN2O2/c11-7-9(15)13-8(14-10(7)16)5-2-1-3-6(12)4-5/h1-4H,(H2,13,14,15,16)
InChIKeyMVSMENIQNKNVMP-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.04
Rot. Bonds1

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

5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66285357) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66285357
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nc(O)c1Br
InChIInChI=1S/C10H6BrFN2O2/c11-7-9(15)13-8(14-10(7)16)5-2-1-3-6(12)4-5/h1-4H,(H2,13,14,15,16)
InChIKeyMVSMENIQNKNVMP-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 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66285357) is 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccc(F)c2)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MVSMENIQNKNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-7-9(15)13-8(14-10(7)16)5-2-1-3-6(12)4-5/h1-4H,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(3-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 5-bromo-2-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66285357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).