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

C5H3BrF2N2O2 — CID 163252388

IUPAC5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)F)nc(O)c1Br
InChIInChI=1S/C5H3BrF2N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12)
InChIKeyGZAKBOVSTXVPRE-UHFFFAOYSA-N
MW240.99 g/mol
LogP1.18
Rot. Bonds1

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

5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 163252388) has the molecular formula C5H3BrF2N2O2 and a molecular weight of 240.99 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID163252388
Molecular FormulaC5H3BrF2N2O2
Molecular Weight240.99 g/mol
Exact Mass239.93
IUPAC Name5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)F)nc(O)c1Br
InChIInChI=1S/C5H3BrF2N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12)
InChIKeyGZAKBOVSTXVPRE-UHFFFAOYSA-N
XLogP1.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.99
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 163252388) is 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C(F)F)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GZAKBOVSTXVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2N2O2/c6-1-4(11)9-3(2(7)8)10-5(1)12/h2H,(H2,9,10,11,12).
What are the key properties of 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 240.99 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 163252388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).