5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one

C23H18ClF2NO3 — CID 142452780

IUPAC5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one
SMILESC#Cc1cc(F)c(-c2c(-c3cc(OC)cc(OC)c3Cl)ccc(=O)n2CC)c(F)c1
InChIInChI=1S/C23H18ClF2NO3/c1-5-13-9-17(25)21(18(26)10-13)23-15(7-8-20(28)27(23)6-2)16-11-14(29-3)12-19(30-4)22(16)24/h1,7-12H,6H2,2-4H3
InChIKeyPNRLYRNLHKEBKE-UHFFFAOYSA-N
MW429.85 g/mol
LogP5.13
Rot. Bonds5

About 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one

5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one (PubChem CID 142452780) has the molecular formula C23H18ClF2NO3 and a molecular weight of 429.85 g/mol. Its IUPAC name is 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one
PubChem CID142452780
Molecular FormulaC23H18ClF2NO3
Molecular Weight429.85 g/mol
Exact Mass429.09
IUPAC Name5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one
SMILESC#Cc1cc(F)c(-c2c(-c3cc(OC)cc(OC)c3Cl)ccc(=O)n2CC)c(F)c1
InChIInChI=1S/C23H18ClF2NO3/c1-5-13-9-17(25)21(18(26)10-13)23-15(7-8-20(28)27(23)6-2)16-11-14(29-3)12-19(30-4)22(16)24/h1,7-12H,6H2,2-4H3
InChIKeyPNRLYRNLHKEBKE-UHFFFAOYSA-N
XLogP5.13
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.85
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779
2-chloro-5-ethynyl-1,3-difluorobenzene
CID 139677428
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 142452805
3-chloro-5-(2-chloro-3,5-dimethoxyphenyl)-4-[(2,4-difluorophenyl)methyl]-1H-pyridin-2-one
CID 174190820
5-(4-chloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-6-(2,4,6-trifluorophenyl)pyridine-3-carbonitrile
CID 167474357
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
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
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one
CID 162436941
2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 161392900

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one?
The IUPAC name of 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one (CID 142452780) is 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one?
The canonical SMILES for 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one is C#Cc1cc(F)c(-c2c(-c3cc(OC)cc(OC)c3Cl)ccc(=O)n2CC)c(F)c1.
What is the InChIKey of 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one?
The InChIKey is PNRLYRNLHKEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO3/c1-5-13-9-17(25)21(18(26)10-13)23-15(7-8-20(28)27(23)6-2)16-11-14(29-3)12-19(30-4)22(16)24/h1,7-12H,6H2,2-4H3.
What are the key properties of 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one?
5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one has a molecular weight of 429.85 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,5-dimethoxyphenyl)-1-ethyl-6-(4-ethynyl-2,6-difluorophenyl)pyridin-2-one is sourced from PubChem (CID 142452780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).