3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one

C18H18ClFINO4 — CID 58368295

IUPAC3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
SMILESC[C@H](O)COCC(=O)c1cc(Cl)c(=O)n(C)c1Cc1ccc(I)cc1F
InChIInChI=1S/C18H18ClFINO4/c1-10(23)8-26-9-17(24)13-7-14(19)18(25)22(2)16(13)5-11-3-4-12(21)6-15(11)20/h3-4,6-7,10,23H,5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKFBZUYKPKGDBGD-JTQLQIEISA-N
MW493.70 g/mol
LogP2.95
Rot. Bonds7

About 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one

3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one (PubChem CID 58368295) has the molecular formula C18H18ClFINO4 and a molecular weight of 493.70 g/mol. Its IUPAC name is 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
PubChem CID58368295
Molecular FormulaC18H18ClFINO4
Molecular Weight493.70 g/mol
Exact Mass493.00
IUPAC Name3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
SMILESC[C@H](O)COCC(=O)c1cc(Cl)c(=O)n(C)c1Cc1ccc(I)cc1F
InChIInChI=1S/C18H18ClFINO4/c1-10(23)8-26-9-17(24)13-7-14(19)18(25)22(2)16(13)5-11-3-4-12(21)6-15(11)20/h3-4,6-7,10,23H,5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKFBZUYKPKGDBGD-JTQLQIEISA-N
XLogP2.95
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-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

5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368282
5-[(2-chloro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368269
1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324543
1-[2-[(2-chloro-4-iodophenyl)methyl]-3,4-difluorophenyl]-2-(2,3-dihydroxypropoxy)ethanone
CID 157122660
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324526
4-chloro-6-[(4S)-4,5-dihydroxypentanoyl]-5-[(2-fluoro-4-iodophenyl)methyl]-2-methylpyridazin-3-one
CID 58368302
5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
CID 58360691
4-[(4-bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-3-methylpyridin-2-one
CID 58360705
2-(2,3-dihydroxypropoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]ethanone
CID 159284362
5-acetyl-3-ethyl-6-[(2-fluoro-4-iodophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58374888
6-[(2-fluoro-4-iodophenyl)methyl]-1,3-dimethyl-5-(piperazine-1-carbonyl)pyrimidine-2,4-dione
CID 58374880

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The IUPAC name of 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one (CID 58368295) is 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one is C[C@H](O)COCC(=O)c1cc(Cl)c(=O)n(C)c1Cc1ccc(I)cc1F.
What is the InChIKey of 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The InChIKey is KFBZUYKPKGDBGD-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18ClFINO4/c1-10(23)8-26-9-17(24)13-7-14(19)18(25)22(2)16(13)5-11-3-4-12(21)6-15(11)20/h3-4,6-7,10,23H,5,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one has a molecular weight of 493.70 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one is sourced from PubChem (CID 58368295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).