6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one

C15H15FINO2 — CID 159941555

IUPAC6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCOc1ccc(-c2ccc(I)c(=O)n2CC)c(F)c1
InChIInChI=1S/C15H15FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-9H,3-4H2,1-2H3
InChIKeyFKDPMNVTVLCQPI-UHFFFAOYSA-N
MW387.19 g/mol
LogP3.68
Rot. Bonds4

About 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one

6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one (PubChem CID 159941555) has the molecular formula C15H15FINO2 and a molecular weight of 387.19 g/mol. Its IUPAC name is 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one.

Molecular Properties

Compound Name6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
PubChem CID159941555
Molecular FormulaC15H15FINO2
Molecular Weight387.19 g/mol
Exact Mass387.01
IUPAC Name6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCOc1ccc(-c2ccc(I)c(=O)n2CC)c(F)c1
InChIInChI=1S/C15H15FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-9H,3-4H2,1-2H3
InChIKeyFKDPMNVTVLCQPI-UHFFFAOYSA-N
XLogP3.68
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 153184355
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
CID 162212561

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one (CID 159941555) is 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one.
What is the SMILES notation for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The canonical SMILES for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one is CCOc1ccc(-c2ccc(I)c(=O)n2CC)c(F)c1.
What is the InChIKey of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The InChIKey is FKDPMNVTVLCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one has a molecular weight of 387.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one is sourced from PubChem (CID 159941555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).