2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one

C20H15F2I2NO — CID 73055765

IUPAC2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccc(F)cc2)c(I)c(=O)c(I)c1-c1ccc(F)cc1
InChIInChI=1S/C20H15F2I2NO/c1-2-11-25-18(12-3-7-14(21)8-4-12)16(23)20(26)17(24)19(25)13-5-9-15(22)10-6-13/h3-10H,2,11H2,1H3
InChIKeyZEPHRTLQSJWIHT-UHFFFAOYSA-N
MW577.15 g/mol
LogP6.08
Rot. Bonds4

About 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one

2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one (PubChem CID 73055765) has the molecular formula C20H15F2I2NO and a molecular weight of 577.15 g/mol. Its IUPAC name is 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one.

Molecular Properties

Compound Name2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one
PubChem CID73055765
Molecular FormulaC20H15F2I2NO
Molecular Weight577.15 g/mol
Exact Mass576.92
IUPAC Name2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one
SMILESCCCn1c(-c2ccc(F)cc2)c(I)c(=O)c(I)c1-c1ccc(F)cc1
InChIInChI=1S/C20H15F2I2NO/c1-2-11-25-18(12-3-7-14(21)8-4-12)16(23)20(26)17(24)19(25)13-5-9-15(22)10-6-13/h3-10H,2,11H2,1H3
InChIKeyZEPHRTLQSJWIHT-UHFFFAOYSA-N
XLogP6.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.15
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one?
The IUPAC name of 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one (CID 73055765) is 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one.
What is the SMILES notation for 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one?
The canonical SMILES for 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one is CCCn1c(-c2ccc(F)cc2)c(I)c(=O)c(I)c1-c1ccc(F)cc1.
What is the InChIKey of 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one?
The InChIKey is ZEPHRTLQSJWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2I2NO/c1-2-11-25-18(12-3-7-14(21)8-4-12)16(23)20(26)17(24)19(25)13-5-9-15(22)10-6-13/h3-10H,2,11H2,1H3.
What are the key properties of 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one?
2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one has a molecular weight of 577.15 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-fluorophenyl)-3,5-diiodo-1-propylpyridin-4-one is sourced from PubChem (CID 73055765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).