1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C11H8FN3O5 — CID 115947678

IUPAC1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccc([N+](=O)[O-])cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O5/c1-5-9(16)13-11(18)14(10(5)17)8-3-2-6(15(19)20)4-7(8)12/h2-4,17H,1H3,(H,13,16,18)
InChIKeyRWWYEMADFILSAG-UHFFFAOYSA-N
MW281.20 g/mol
LogP0.59
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 115947678) has the molecular formula C11H8FN3O5 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID115947678
Molecular FormulaC11H8FN3O5
Molecular Weight281.20 g/mol
Exact Mass281.04
IUPAC Name1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(-c2ccc([N+](=O)[O-])cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O5/c1-5-9(16)13-11(18)14(10(5)17)8-3-2-6(15(19)20)4-7(8)12/h2-4,17H,1H3,(H,13,16,18)
InChIKeyRWWYEMADFILSAG-UHFFFAOYSA-N
XLogP0.59
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione 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

6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione
CID 112599075
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
1-[4-bromo-2-(trifluoromethyl)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115946946
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 115947678) is 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(-c2ccc([N+](=O)[O-])cc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is RWWYEMADFILSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O5/c1-5-9(16)13-11(18)14(10(5)17)8-3-2-6(15(19)20)4-7(8)12/h2-4,17H,1H3,(H,13,16,18).
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 281.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115947678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).