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

C16H18F2INO3 — CID 153451159

IUPAC6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(I)CC=C1c1c(F)cc(OCCOC)cc1F
InChIInChI=1S/C16H18F2INO3/c1-3-20-14(5-4-13(19)16(20)21)15-11(17)8-10(9-12(15)18)23-7-6-22-2/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyFLVOCVPRTOPDPW-UHFFFAOYSA-N
MW437.22 g/mol
LogP3.39
Rot. Bonds6

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

6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one (PubChem CID 153451159) has the molecular formula C16H18F2INO3 and a molecular weight of 437.22 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
PubChem CID153451159
Molecular FormulaC16H18F2INO3
Molecular Weight437.22 g/mol
Exact Mass437.03
IUPAC Name6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(I)CC=C1c1c(F)cc(OCCOC)cc1F
InChIInChI=1S/C16H18F2INO3/c1-3-20-14(5-4-13(19)16(20)21)15-11(17)8-10(9-12(15)18)23-7-6-22-2/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyFLVOCVPRTOPDPW-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one (CID 153451159) is 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one is CCN1C(=O)C(I)CC=C1c1c(F)cc(OCCOC)cc1F.
What is the InChIKey of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
The InChIKey is FLVOCVPRTOPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2INO3/c1-3-20-14(5-4-13(19)16(20)21)15-11(17)8-10(9-12(15)18)23-7-6-22-2/h5,8-9,13H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one?
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one has a molecular weight of 437.22 g/mol, XLogP of 3.39, 6 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-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).