5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione

C12H9BrF2N2O3 — CID 115948916

IUPAC5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)F)c(O)c1-c1ccccc1Br
InChIInChI=1S/C12H9BrF2N2O3/c13-7-4-2-1-3-6(7)9-10(18)16-12(20)17(11(9)19)5-8(14)15/h1-4,8,19H,5H2,(H,16,18,20)
InChIKeyMNHFXDILFPPZNV-UHFFFAOYSA-N
MW347.12 g/mol
LogP1.94
Rot. Bonds3

About 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione

5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 115948916) has the molecular formula C12H9BrF2N2O3 and a molecular weight of 347.12 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID115948916
Molecular FormulaC12H9BrF2N2O3
Molecular Weight347.12 g/mol
Exact Mass345.98
IUPAC Name5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)F)c(O)c1-c1ccccc1Br
InChIInChI=1S/C12H9BrF2N2O3/c13-7-4-2-1-3-6(7)9-10(18)16-12(20)17(11(9)19)5-8(14)15/h1-4,8,19H,5H2,(H,16,18,20)
InChIKeyMNHFXDILFPPZNV-UHFFFAOYSA-N
XLogP1.94
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione (CID 115948916) is 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(F)F)c(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MNHFXDILFPPZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O3/c13-7-4-2-1-3-6(7)9-10(18)16-12(20)17(11(9)19)5-8(14)15/h1-4,8,19H,5H2,(H,16,18,20).
What are the key properties of 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione?
5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 347.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115948916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).