6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one

C14H14F2INO3 — CID 153450935

IUPAC6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCOCOc1cc(F)c(C2=CCC(I)C(=O)N2C)c(F)c1
InChIInChI=1S/C14H14F2INO3/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2/h4-6,11H,3,7H2,1-2H3
InChIKeyPEYNYGOXGSBOLE-UHFFFAOYSA-N
MW409.17 g/mol
LogP2.95
Rot. Bonds4

About 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one

6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 153450935) has the molecular formula C14H14F2INO3 and a molecular weight of 409.17 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
PubChem CID153450935
Molecular FormulaC14H14F2INO3
Molecular Weight409.17 g/mol
Exact Mass409.00
IUPAC Name6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCOCOc1cc(F)c(C2=CCC(I)C(=O)N2C)c(F)c1
InChIInChI=1S/C14H14F2INO3/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2/h4-6,11H,3,7H2,1-2H3
InChIKeyPEYNYGOXGSBOLE-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one (CID 153450935) is 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one is COCOc1cc(F)c(C2=CCC(I)C(=O)N2C)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is PEYNYGOXGSBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2INO3/c1-18-12(4-3-11(17)14(18)19)13-9(15)5-8(6-10(13)16)21-7-20-2/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 409.17 g/mol, XLogP of 2.95, 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-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).