3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one

C20H15FINO2 — CID 21320916

IUPAC3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2cccc(O/C(F)=C/I)c2)c1
InChIInChI=1S/C20H15FINO2/c1-23-12-17(14-6-3-2-4-7-14)20(24)18(13-23)15-8-5-9-16(10-15)25-19(21)11-22/h2-13H,1H3/b19-11+
InChIKeyMYYZEDFHCWALFH-YBFXNURJSA-N
MW447.25 g/mol
LogP5.30
Rot. Bonds4

About 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one

3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one (PubChem CID 21320916) has the molecular formula C20H15FINO2 and a molecular weight of 447.25 g/mol. Its IUPAC name is 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one.

Molecular Properties

Compound Name3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one
PubChem CID21320916
Molecular FormulaC20H15FINO2
Molecular Weight447.25 g/mol
Exact Mass447.01
IUPAC Name3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2cccc(O/C(F)=C/I)c2)c1
InChIInChI=1S/C20H15FINO2/c1-23-12-17(14-6-3-2-4-7-14)20(24)18(13-23)15-8-5-9-16(10-15)25-19(21)11-22/h2-13H,1H3/b19-11+
InChIKeyMYYZEDFHCWALFH-YBFXNURJSA-N
XLogP5.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.25
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399
3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
CID 12879285
1-methyl-3-(3-octoxyphenyl)-5-phenylpyridin-4-one
CID 21320696
3-(3-hexoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 23276833
1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one
CID 23161451
1-methyl-3-phenyl-5-[3-(3-propan-2-ylphenyl)sulfanylphenyl]pyridin-4-one
CID 23328511
3-(3-chlorophenyl)-5-(2,2-dichloroacetyl)-1-methylpyridin-4-one
CID 20548496
[3-carboxyoxy-5-(3-carboxyoxyphenyl)phenyl] hydrogen carbonate
CID 66768038
3-(3,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879369
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208
propyl 3-[1-methyl-4-oxo-5-(3-phenylpropyl)-3-pyridinyl]benzoate
CID 23328603
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one?
The IUPAC name of 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one (CID 21320916) is 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one.
What is the SMILES notation for 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one?
The canonical SMILES for 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one is Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(O/C(F)=C/I)c2)c1.
What is the InChIKey of 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one?
The InChIKey is MYYZEDFHCWALFH-YBFXNURJSA-N. The full InChI is InChI=1S/C20H15FINO2/c1-23-12-17(14-6-3-2-4-7-14)20(24)18(13-23)15-8-5-9-16(10-15)25-19(21)11-22/h2-13H,1H3/b19-11+.
What are the key properties of 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one?
3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one has a molecular weight of 447.25 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-1-fluoro-2-iodoethenoxy]phenyl]-1-methyl-5-phenylpyridin-4-one is sourced from PubChem (CID 21320916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).