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

C14H13F2INO3Y- — CID 153450934

IUPAC6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCOCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2C)c(F)c1.[Y]
InChIInChI=1S/C14H13F2INO3.Y/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2;/h5-6,11H,3,7H2,1-2H3;/q-1;
InChIKeyOVDDETGUEPJSGT-UHFFFAOYSA-N
MW497.07 g/mol
LogP2.75
Rot. Bonds4

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

6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153450934) has the molecular formula C14H13F2INO3Y- and a molecular weight of 497.07 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153450934
Molecular FormulaC14H13F2INO3Y-
Molecular Weight497.07 g/mol
Exact Mass496.90
IUPAC Name6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCOCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2C)c(F)c1.[Y]
InChIInChI=1S/C14H13F2INO3.Y/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2;/h5-6,11H,3,7H2,1-2H3;/q-1;
InChIKeyOVDDETGUEPJSGT-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.07
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450466
6-[2-chloro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450992
6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153450935
6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451054
3-bromo-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451160
3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
CID 153451355
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450545
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451288
6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450394
6-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451951
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451397
3-chloro-6-[2-chloro-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451621

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153450934) is 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is COCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2C)c(F)c1.[Y].
What is the InChIKey of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is OVDDETGUEPJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2INO3.Y/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2;/h5-6,11H,3,7H2,1-2H3;/q-1;.
What are the key properties of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 497.07 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153450934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).