1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C15H11FIN3O4 — CID 118041780

IUPAC1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)cc(=O)n(C)c2n(-c2ccc(I)cc2F)c1=O
InChIInChI=1S/C15H11FIN3O4/c1-18-11(22)6-10(21)12-13(18)20(15(24)19(2)14(12)23)9-4-3-7(17)5-8(9)16/h3-6,21H,1-2H3
InChIKeyLHHWGHOWBLQNDC-UHFFFAOYSA-N
MW443.17 g/mol
LogP0.84
Rot. Bonds1

About 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 118041780) has the molecular formula C15H11FIN3O4 and a molecular weight of 443.17 g/mol. Its IUPAC name is 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID118041780
Molecular FormulaC15H11FIN3O4
Molecular Weight443.17 g/mol
Exact Mass442.98
IUPAC Name1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)cc(=O)n(C)c2n(-c2ccc(I)cc2F)c1=O
InChIInChI=1S/C15H11FIN3O4/c1-18-11(22)6-10(21)12-13(18)20(15(24)19(2)14(12)23)9-4-3-7(17)5-8(9)16/h3-6,21H,1-2H3
InChIKeyLHHWGHOWBLQNDC-UHFFFAOYSA-N
XLogP0.84
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 118041780) is 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)cc(=O)n(C)c2n(-c2ccc(I)cc2F)c1=O.
What is the InChIKey of 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is LHHWGHOWBLQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O4/c1-18-11(22)6-10(21)12-13(18)20(15(24)19(2)14(12)23)9-4-3-7(17)5-8(9)16/h3-6,21H,1-2H3.
What are the key properties of 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 443.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 118041780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).