1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C15H11FIN3O3 — CID 166081178

IUPAC1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1cc2c(=O)[nH]c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C15H11FIN3O3/c1-7-5-9-12(21)18-15(23)20(13(9)19(2)14(7)22)11-4-3-8(17)6-10(11)16/h3-6H,1-2H3,(H,18,21,23)
InChIKeyLTCDPKGSOLDRLO-UHFFFAOYSA-N
MW427.17 g/mol
LogP1.43
Rot. Bonds1

About 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 166081178) has the molecular formula C15H11FIN3O3 and a molecular weight of 427.17 g/mol. Its IUPAC name is 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID166081178
Molecular FormulaC15H11FIN3O3
Molecular Weight427.17 g/mol
Exact Mass426.98
IUPAC Name1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1cc2c(=O)[nH]c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIInChI=1S/C15H11FIN3O3/c1-7-5-9-12(21)18-15(23)20(13(9)19(2)14(7)22)11-4-3-8(17)6-10(11)16/h3-6H,1-2H3,(H,18,21,23)
InChIKeyLTCDPKGSOLDRLO-UHFFFAOYSA-N
XLogP1.43
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.17
LogP ≤ 51.43
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 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 166081178) is 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1cc2c(=O)[nH]c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O.
What is the InChIKey of 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is LTCDPKGSOLDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O3/c1-7-5-9-12(21)18-15(23)20(13(9)19(2)14(7)22)11-4-3-8(17)6-10(11)16/h3-6H,1-2H3,(H,18,21,23).
What are the key properties of 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 427.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-iodophenyl)-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 166081178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).