4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one

C11H6Cl2FNO — CID 118823789

IUPAC4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C11H6Cl2FNO/c12-7-3-6(4-8(13)5-7)9-1-2-15-11(16)10(9)14/h1-5H,(H,15,16)
InChIKeyNYYRMPQSJAKNSC-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.49
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one

4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 118823789) has the molecular formula C11H6Cl2FNO and a molecular weight of 258.08 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
PubChem CID118823789
Molecular FormulaC11H6Cl2FNO
Molecular Weight258.08 g/mol
Exact Mass256.98
IUPAC Name4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C11H6Cl2FNO/c12-7-3-6(4-8(13)5-7)9-1-2-15-11(16)10(9)14/h1-5H,(H,15,16)
InChIKeyNYYRMPQSJAKNSC-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

5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1479121
N-[(E)-2-(3-chlorophenyl)vinyl]acetamide
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5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one
CID 122189979
3-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217885
(E)-3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893784
(Z)-3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893785
3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893786
3-chloro-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 88670929
4-chloro-5-(4-fluorophenyl)-1H-pyridin-2-one
CID 90095686
5-Chloro-4-[5-chloro-2-(trifluoromethyl)phenyl]pyridin-2(1H)-one
CID 117605078
5-Chloro-4-[5-chloro-2-(difluoromethyl)phenyl]pyridin-2(1H)-one
CID 117605586
4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one
CID 118286065

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one (CID 118823789) is 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]ccc(-c2cc(Cl)cc(Cl)c2)c1F.
What is the InChIKey of 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is NYYRMPQSJAKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO/c12-7-3-6(4-8(13)5-7)9-1-2-15-11(16)10(9)14/h1-5H,(H,15,16).
What are the key properties of 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one?
4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-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 4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).