3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one

C17H18ClF2NO3 — CID 160891004

IUPAC3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(Cl)c(=O)n2CC(F)F)c(C)c1
InChIInChI=1S/C17H18ClF2NO3/c1-11-9-12(24-8-7-23-2)3-4-13(11)15-6-5-14(18)17(22)21(15)10-16(19)20/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyIJCMVUFTBOLZLR-UHFFFAOYSA-N
MW357.78 g/mol
LogP3.77
Rot. Bonds7

About 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one

3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one (PubChem CID 160891004) has the molecular formula C17H18ClF2NO3 and a molecular weight of 357.78 g/mol. Its IUPAC name is 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
PubChem CID160891004
Molecular FormulaC17H18ClF2NO3
Molecular Weight357.78 g/mol
Exact Mass357.09
IUPAC Name3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(Cl)c(=O)n2CC(F)F)c(C)c1
InChIInChI=1S/C17H18ClF2NO3/c1-11-9-12(24-8-7-23-2)3-4-13(11)15-6-5-14(18)17(22)21(15)10-16(19)20/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyIJCMVUFTBOLZLR-UHFFFAOYSA-N
XLogP3.77
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 157332522
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one (CID 160891004) is 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one is COCCOc1ccc(-c2ccc(Cl)c(=O)n2CC(F)F)c(C)c1.
What is the InChIKey of 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
The InChIKey is IJCMVUFTBOLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2NO3/c1-11-9-12(24-8-7-23-2)3-4-13(11)15-6-5-14(18)17(22)21(15)10-16(19)20/h3-6,9,16H,7-8,10H2,1-2H3.
What are the key properties of 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one?
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one has a molecular weight of 357.78 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one is sourced from PubChem (CID 160891004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).