2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

C14H12FINO3Y- — CID 158034417

IUPAC2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCOCOc1ccc(-c2[c-]cc(I)c(=O)n2C)c(F)c1.[Y]
InChIInChI=1S/C14H12FINO3.Y/c1-17-13(6-5-12(16)14(17)18)10-4-3-9(7-11(10)15)20-8-19-2;/h3-5,7H,8H2,1-2H3;/q-1;
InChIKeyFSZVVSIFEKCVFE-UHFFFAOYSA-N
MW477.06 g/mol
LogP2.58
Rot. Bonds4

About 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 158034417) has the molecular formula C14H12FINO3Y- and a molecular weight of 477.06 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID158034417
Molecular FormulaC14H12FINO3Y-
Molecular Weight477.06 g/mol
Exact Mass476.89
IUPAC Name2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCOCOc1ccc(-c2[c-]cc(I)c(=O)n2C)c(F)c1.[Y]
InChIInChI=1S/C14H12FINO3.Y/c1-17-13(6-5-12(16)14(17)18)10-4-3-9(7-11(10)15)20-8-19-2;/h3-5,7H,8H2,1-2H3;/q-1;
InChIKeyFSZVVSIFEKCVFE-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160603933
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
2-(2,4-dichlorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160520589
2-[3,5-difluoro-4-(5-iodo-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 158307649
3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159322458
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
6-[2-chloro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450992
5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160848103
2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 158310514
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 158034417) is 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is COCOc1ccc(-c2[c-]cc(I)c(=O)n2C)c(F)c1.[Y].
What is the InChIKey of 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is FSZVVSIFEKCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FINO3.Y/c1-17-13(6-5-12(16)14(17)18)10-4-3-9(7-11(10)15)20-8-19-2;/h3-5,7H,8H2,1-2H3;/q-1;.
What are the key properties of 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 477.06 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 158034417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).