3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione

C11H8FIN2O3 — CID 90859460

IUPAC3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)cc(=O)n(-c2ccc(I)cc2F)c1=O
InChIInChI=1S/C11H8FIN2O3/c1-14-9(16)5-10(17)15(11(14)18)8-3-2-6(13)4-7(8)12/h2-5,16H,1H3
InChIKeyIMQQSCBWFJWBJN-UHFFFAOYSA-N
MW362.10 g/mol
LogP0.99
Rot. Bonds1

About 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione

3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 90859460) has the molecular formula C11H8FIN2O3 and a molecular weight of 362.10 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID90859460
Molecular FormulaC11H8FIN2O3
Molecular Weight362.10 g/mol
Exact Mass361.96
IUPAC Name3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)cc(=O)n(-c2ccc(I)cc2F)c1=O
InChIInChI=1S/C11H8FIN2O3/c1-14-9(16)5-10(17)15(11(14)18)8-3-2-6(13)4-7(8)12/h2-5,16H,1H3
InChIKeyIMQQSCBWFJWBJN-UHFFFAOYSA-N
XLogP0.99
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 90859460) is 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione is Cn1c(O)cc(=O)n(-c2ccc(I)cc2F)c1=O.
What is the InChIKey of 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is IMQQSCBWFJWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O3/c1-14-9(16)5-10(17)15(11(14)18)8-3-2-6(13)4-7(8)12/h2-5,16H,1H3.
What are the key properties of 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione?
3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 362.10 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 90859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).