5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one

C16H16FIN2O3 — CID 58360691

IUPAC5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
SMILESCOCC(=O)c1nn(C)c(=O)c(C)c1Cc1ccc(I)cc1F
InChIInChI=1S/C16H16FIN2O3/c1-9-12(6-10-4-5-11(18)7-13(10)17)15(14(21)8-23-3)19-20(2)16(9)22/h4-5,7H,6,8H2,1-3H3
InChIKeyHWZNLADEWCMJJJ-UHFFFAOYSA-N
MW430.22 g/mol
LogP2.25
Rot. Bonds5

About 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one

5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one (PubChem CID 58360691) has the molecular formula C16H16FIN2O3 and a molecular weight of 430.22 g/mol. Its IUPAC name is 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
PubChem CID58360691
Molecular FormulaC16H16FIN2O3
Molecular Weight430.22 g/mol
Exact Mass430.02
IUPAC Name5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
SMILESCOCC(=O)c1nn(C)c(=O)c(C)c1Cc1ccc(I)cc1F
InChIInChI=1S/C16H16FIN2O3/c1-9-12(6-10-4-5-11(18)7-13(10)17)15(14(21)8-23-3)19-20(2)16(9)22/h4-5,7H,6,8H2,1-3H3
InChIKeyHWZNLADEWCMJJJ-UHFFFAOYSA-N
XLogP2.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
5-[(2-chloro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368269
4-chloro-6-[(4S)-4,5-dihydroxypentanoyl]-5-[(2-fluoro-4-iodophenyl)methyl]-2-methylpyridazin-3-one
CID 58368302
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
4-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-fluoro-5-(2-methoxyacetyl)pyridin-2-one
CID 58360770
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368295
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 58300341
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
5-acetyl-3-ethyl-6-[(2-fluoro-4-iodophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58374888
N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
CID 58380567

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one (CID 58360691) is 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one is COCC(=O)c1nn(C)c(=O)c(C)c1Cc1ccc(I)cc1F.
What is the InChIKey of 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one?
The InChIKey is HWZNLADEWCMJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O3/c1-9-12(6-10-4-5-11(18)7-13(10)17)15(14(21)8-23-3)19-20(2)16(9)22/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one?
5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one has a molecular weight of 430.22 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 58360691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).