2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile

C11H5F2N3O3 — CID 112600343

IUPAC2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(O)c(F)c(=O)[nH]c2=O)ccc1F
InChIInChI=1S/C11H5F2N3O3/c12-7-2-1-6(3-5(7)4-14)16-10(18)8(13)9(17)15-11(16)19/h1-3,18H,(H,15,17,19)
InChIKeyXPNWPCHHWRIRAM-UHFFFAOYSA-N
MW265.18 g/mol
LogP0.38
Rot. Bonds1

About 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile

2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile (PubChem CID 112600343) has the molecular formula C11H5F2N3O3 and a molecular weight of 265.18 g/mol. Its IUPAC name is 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
PubChem CID112600343
Molecular FormulaC11H5F2N3O3
Molecular Weight265.18 g/mol
Exact Mass265.03
IUPAC Name2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(O)c(F)c(=O)[nH]c2=O)ccc1F
InChIInChI=1S/C11H5F2N3O3/c12-7-2-1-6(3-5(7)4-14)16-10(18)8(13)9(17)15-11(16)19/h1-3,18H,(H,15,17,19)
InChIKeyXPNWPCHHWRIRAM-UHFFFAOYSA-N
XLogP0.38
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112599177
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
3-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112598512
5-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-fluorobenzonitrile
CID 80643209
5-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzonitrile
CID 62316510
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
2-fluoro-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)benzonitrile
CID 55070917
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
1-(3-chloro-4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 13014470

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile (CID 112600343) is 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile is N#Cc1cc(-n2c(O)c(F)c(=O)[nH]c2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile?
The InChIKey is XPNWPCHHWRIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2N3O3/c12-7-2-1-6(3-5(7)4-14)16-10(18)8(13)9(17)15-11(16)19/h1-3,18H,(H,15,17,19).
What are the key properties of 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile?
2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile has a molecular weight of 265.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile is sourced from PubChem (CID 112600343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).