5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one

C20H16F2N2O2 — CID 167625089

IUPAC5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)Cc2ccc(Cc3cccc(F)c3F)cn2)ccc1=O
InChIInChI=1S/C20H16F2N2O2/c1-24-12-15(6-8-19(24)26)18(25)10-16-7-5-13(11-23-16)9-14-3-2-4-17(21)20(14)22/h2-8,11-12H,9-10H2,1H3
InChIKeyMZJADIZVEYGGIX-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.07
Rot. Bonds5

About 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one

5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one (PubChem CID 167625089) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one
PubChem CID167625089
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)Cc2ccc(Cc3cccc(F)c3F)cn2)ccc1=O
InChIInChI=1S/C20H16F2N2O2/c1-24-12-15(6-8-19(24)26)18(25)10-16-7-5-13(11-23-16)9-14-3-2-4-17(21)20(14)22/h2-8,11-12H,9-10H2,1H3
InChIKeyMZJADIZVEYGGIX-UHFFFAOYSA-N
XLogP3.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448501
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
4-fluoro-3-[[6-[2-(1-methyl-6-oxopyridazin-3-yl)-2-oxoethyl]-3-pyridinyl]methyl]benzonitrile
CID 167653480
2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
CID 114963907
6-[(2,3-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61304812
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one (CID 167625089) is 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one is Cn1cc(C(=O)Cc2ccc(Cc3cccc(F)c3F)cn2)ccc1=O.
What is the InChIKey of 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one?
The InChIKey is MZJADIZVEYGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-24-12-15(6-8-19(24)26)18(25)10-16-7-5-13(11-23-16)9-14-3-2-4-17(21)20(14)22/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one?
5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one has a molecular weight of 354.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[(2,3-difluorophenyl)methyl]-2-pyridinyl]acetyl]-1-methylpyridin-2-one is sourced from PubChem (CID 167625089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).