6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one

C15H17FINO2 — CID 153451550

IUPAC6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(I)C(=O)N2CC)c(F)c1
InChIInChI=1S/C15H17FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyRYYXWLKDYCURPT-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.62
Rot. Bonds4

About 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one

6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one (PubChem CID 153451550) has the molecular formula C15H17FINO2 and a molecular weight of 389.21 g/mol. Its IUPAC name is 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
PubChem CID153451550
Molecular FormulaC15H17FINO2
Molecular Weight389.21 g/mol
Exact Mass389.03
IUPAC Name6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(I)C(=O)N2CC)c(F)c1
InChIInChI=1S/C15H17FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyRYYXWLKDYCURPT-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153450365
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451159
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
1-(2,2-difluoroethyl)-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451508
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-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451089
6-(4-ethoxy-2-methylphenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451026
6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451054
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451135
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450545
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450535

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one (CID 153451550) is 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one is CCOc1ccc(C2=CCC(I)C(=O)N2CC)c(F)c1.
What is the InChIKey of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The InChIKey is RYYXWLKDYCURPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FINO2/c1-3-18-14(8-7-13(17)15(18)19)11-6-5-10(20-4-2)9-12(11)16/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one has a molecular weight of 389.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).