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

C11H6Cl2FNO — CID 130088618

IUPAC3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl2FNO/c12-8-2-1-6(3-9(8)13)7-4-15-5-10(14)11(7)16/h1-5H,(H,15,16)
InChIKeyOSHLQGRLGXEUTK-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.49
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 130088618) has the molecular formula C11H6Cl2FNO and a molecular weight of 258.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
PubChem CID130088618
Molecular FormulaC11H6Cl2FNO
Molecular Weight258.08 g/mol
Exact Mass256.98
IUPAC Name3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl2FNO/c12-8-2-1-6(3-9(8)13)7-4-15-5-10(14)11(7)16/h1-5H,(H,15,16)
InChIKeyOSHLQGRLGXEUTK-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

(2E)-1-(3,4-Dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 5713921
3-(4-chlorophenyl)-1H-pyridin-4-one
CID 4785618
2-Amino-1-(3,4-dichlorophenyl)ethanone
CID 2303531
3-(3,4-Dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879294
3-Chloro-4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]-1,1-difluorobut-3-en-2-one
CID 139708190
1-(3-Chlorophenyl)-3-(3-fluorophenyl)-4-(methylamino)but-3-en-2-one
CID 154354444
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one
CID 159101500
1-(3,4-Dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2805156
2-(3,4-Dichlorophenyl)-3-(dimethylamino)prop-2-enal
CID 77230472
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one (CID 130088618) is 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one is O=c1c(F)c[nH]cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is OSHLQGRLGXEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO/c12-8-2-1-6(3-9(8)13)7-4-15-5-10(14)11(7)16/h1-5H,(H,15,16).
What are the key properties of 3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one?
3-(3,4-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-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).