4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one

C11H6Cl2FNO — CID 118846322

IUPAC4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)cc(F)[nH]1
InChIInChI=1S/C11H6Cl2FNO/c12-8-1-6(2-9(13)5-8)7-3-10(14)15-11(16)4-7/h1-5H,(H,15,16)
InChIKeyPRODUDGZWXXJBV-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.49
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one

4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one (PubChem CID 118846322) has the molecular formula C11H6Cl2FNO and a molecular weight of 258.08 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one
PubChem CID118846322
Molecular FormulaC11H6Cl2FNO
Molecular Weight258.08 g/mol
Exact Mass256.98
IUPAC Name4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)cc(F)[nH]1
InChIInChI=1S/C11H6Cl2FNO/c12-8-1-6(2-9(13)5-8)7-3-10(14)15-11(16)4-7/h1-5H,(H,15,16)
InChIKeyPRODUDGZWXXJBV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-[(E)-2-(3-chlorophenyl)ethenyl]-1H-pyridin-2-one
CID 145988332
4-(4-chloro-phenyl)-6-trifluoromethyl-1H-pyridin-2-one
CID 57468634
(2E)-3-(3-chloro-4-fluorophenyl)prop-2-enamide
CID 19347599
3-(3-Chloro-2-fluorophenyl)prop-2-enamide
CID 53874362
3-(3-Chloro-4-fluorophenyl)prop-2-enamide
CID 70287942
3-amino-4-[(3,5-dichlorophenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 487005
(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide
CID 47141495
4-(3-Chloro-5-fluorophenyl)-2-hydroxypyridine
CID 53217881
5-(3-Chloro-5-fluorophenyl)pyridin-2(1H)-one
CID 53217882
4-(3-Chloro-4-fluorophenyl)-2-hydroxypyridine
CID 53217887
5-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217888
(E)-3-(3-chloro-2-fluorophenyl)prop-2-enamide
CID 55267298

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one (CID 118846322) is 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one is O=c1cc(-c2cc(Cl)cc(Cl)c2)cc(F)[nH]1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is PRODUDGZWXXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FNO/c12-8-1-6(2-9(13)5-8)7-3-10(14)15-11(16)4-7/h1-5H,(H,15,16).
What are the key properties of 4-(3,5-dichlorophenyl)-6-fluoro-1H-pyridin-2-one?
4-(3,5-dichlorophenyl)-6-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)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118846322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).