3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one

C11H6Cl2FNO — CID 130088645

IUPAC3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl2FNO/c12-7-1-6(2-8(13)3-7)9-4-15-5-10(14)11(9)16/h1-5H,(H,15,16)
InChIKeyJXJGWZGICYSHLN-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.49
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one

3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 130088645) has the molecular formula C11H6Cl2FNO and a molecular weight of 258.08 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
PubChem CID130088645
Molecular FormulaC11H6Cl2FNO
Molecular Weight258.08 g/mol
Exact Mass256.98
IUPAC Name3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H6Cl2FNO/c12-7-1-6(2-8(13)3-7)9-4-15-5-10(14)11(9)16/h1-5H,(H,15,16)
InChIKeyJXJGWZGICYSHLN-UHFFFAOYSA-N
XLogP3.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dichlorobenzyl)-2-methyl-4(1H)-pyridinone
CID 1488801
3-(4-chlorophenyl)-1H-pyridin-4-one
CID 4785618
2-Chloro-1-(3,5-dichloro-2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 88360311
3-(3-Chlorophenyl)-4-(methylamino)-1-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 154175184
1-(3-Chlorophenyl)-3-(3-fluorophenyl)-4-(methylamino)but-3-en-2-one
CID 154354444
3-chloro-5-(2-fluorophenyl)-1H-pyridin-4-one
CID 46311955
3-chloro-5-(3-fluorophenyl)-1H-pyridin-4-one
CID 46311956
3-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one
CID 46311957
5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 66485737
2-Amino-1-(3,5-dichloro-4-fluorophenyl)ethanone
CID 97890586
1-(3,5-Dichloro-4-fluorophenyl)-2-(methylamino)ethanone
CID 117344111
3-(2,3,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804804

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one (CID 130088645) is 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one is O=c1c(F)c[nH]cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is JXJGWZGICYSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO/c12-7-1-6(2-8(13)3-7)9-4-15-5-10(14)11(9)16/h1-5H,(H,15,16).
What are the key properties of 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one has a molecular weight of 258.08 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).