3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one

C17H18ClF2NO2 — CID 142452813

IUPAC3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cccc2F)c(C(O)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C17H18ClF2NO2/c1-4-21-15(14-12(19)6-5-7-13(14)20)10(16(22)9(2)3)8-11(18)17(21)23/h5-9,16,22H,4H2,1-3H3
InChIKeyISSWKHQCWJDRLY-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.16
Rot. Bonds4

About 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one

3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one (PubChem CID 142452813) has the molecular formula C17H18ClF2NO2 and a molecular weight of 341.79 g/mol. Its IUPAC name is 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
PubChem CID142452813
Molecular FormulaC17H18ClF2NO2
Molecular Weight341.79 g/mol
Exact Mass341.10
IUPAC Name3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cccc2F)c(C(O)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C17H18ClF2NO2/c1-4-21-15(14-12(19)6-5-7-13(14)20)10(16(22)9(2)3)8-11(18)17(21)23/h5-9,16,22H,4H2,1-3H3
InChIKeyISSWKHQCWJDRLY-UHFFFAOYSA-N
XLogP4.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
CID 146396991
3-chloro-1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one;1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 158808152
5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde;5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carboxylic acid
CID 157135187
3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452810
3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142496618
5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
CID 151827830
4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779
3-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-2-methylpropan-1-ol
CID 78425895
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
CID 82269259
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 142452805

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one (CID 142452813) is 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one is CCn1c(-c2c(F)cccc2F)c(C(O)C(C)C)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one?
The InChIKey is ISSWKHQCWJDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2NO2/c1-4-21-15(14-12(19)6-5-7-13(14)20)10(16(22)9(2)3)8-11(18)17(21)23/h5-9,16,22H,4H2,1-3H3.
What are the key properties of 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one?
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one has a molecular weight of 341.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 142452813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).