5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione

C10H6FN3O5 — CID 22217097

IUPAC5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(O)c([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C10H6FN3O5/c11-6-4-13(10(17)12-9(6)16)5-1-2-8(15)7(3-5)14(18)19/h1-4,15H,(H,12,16,17)
InChIKeyGZRVNNMWHHVPAG-UHFFFAOYSA-N
MW267.17 g/mol
LogP0.28
Rot. Bonds2

About 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione

5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione (PubChem CID 22217097) has the molecular formula C10H6FN3O5 and a molecular weight of 267.17 g/mol. Its IUPAC name is 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione
PubChem CID22217097
Molecular FormulaC10H6FN3O5
Molecular Weight267.17 g/mol
Exact Mass267.03
IUPAC Name5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(O)c([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C10H6FN3O5/c11-6-4-13(10(17)12-9(6)16)5-1-2-8(15)7(3-5)14(18)19/h1-4,15H,(H,12,16,17)
InChIKeyGZRVNNMWHHVPAG-UHFFFAOYSA-N
XLogP0.28
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 50.28
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'}

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide
CID 3550295
1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea
CID 11818139
N-(2-fluoro-5-nitrophenyl)-N'-(2-hydroxy-5-nitrophenyl)urea
CID 4049205
4-hydroxy-3-nitro-N-(trifluoromethylcarbonyl)benzenamine
CID 18318131
3-(4-hydroxy-3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18427282
4-(1-N-trifluoroacetyl-4-piperazinyl)nitrophenol
CID 18783783
1-(2-Fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one
CID 19739590
N-cyclopropyl-2,2,2-trifluoro-N-(4-hydroxy-3-nitrophenyl)acetamide
CID 57707423
1-(4-Hydroxy-3-nitrophenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 70286819
1-(2-Hydroxy-5-nitrophenyl)-1-(trifluoromethyl)urea
CID 174458035
1-(2-Hydroxy-3-nitrophenyl)-1-(trifluoromethyl)urea
CID 174470753
1-(2-Hydroxy-5-nitrophenyl)urea
CID 57211632

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione (CID 22217097) is 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(O)c([N+](=O)[O-])c2)cc1F.
What is the InChIKey of 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione?
The InChIKey is GZRVNNMWHHVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O5/c11-6-4-13(10(17)12-9(6)16)5-1-2-8(15)7(3-5)14(18)19/h1-4,15H,(H,12,16,17).
What are the key properties of 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione?
5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione has a molecular weight of 267.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 22217097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).