2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

C12H7ClFINOY- — CID 160603933

IUPAC2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(Cl)cc2F)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C12H7ClFINO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-4,6H,1H3;/q-1;
InChIKeyLVEPZITVRGRCJI-UHFFFAOYSA-N
MW451.46 g/mol
LogP3.25
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium

2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 160603933) has the molecular formula C12H7ClFINOY- and a molecular weight of 451.46 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID160603933
Molecular FormulaC12H7ClFINOY-
Molecular Weight451.46 g/mol
Exact Mass450.83
IUPAC Name2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(Cl)cc2F)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C12H7ClFINO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-4,6H,1H3;/q-1;
InChIKeyLVEPZITVRGRCJI-UHFFFAOYSA-N
XLogP3.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160520589
2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158566039
2-[3,5-difluoro-4-(5-iodo-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 158307649
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159051688
2-(2-bromo-4-hydroxyphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 160607048
5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
CID 159462140
2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 159944033
2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 158310514
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-hydroxyphenyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 153067615
2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one
CID 142452860

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 160603933) is 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is Cn1c(-c2ccc(Cl)cc2F)[c-]cc(I)c1=O.[Y].
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is LVEPZITVRGRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFINO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-4,6H,1H3;/q-1;.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 451.46 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 160603933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).