2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one

C18H12Cl2FNO — CID 134565241

IUPAC2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H12Cl2FNO/c19-16-3-1-2-15(18(16)20)17-10-14(23)8-9-22(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2
InChIKeyKOMFOKVAKSQYAJ-UHFFFAOYSA-N
MW348.20 g/mol
LogP5.01
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one

2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one (PubChem CID 134565241) has the molecular formula C18H12Cl2FNO and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one
PubChem CID134565241
Molecular FormulaC18H12Cl2FNO
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H12Cl2FNO/c19-16-3-1-2-15(18(16)20)17-10-14(23)8-9-22(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2
InChIKeyKOMFOKVAKSQYAJ-UHFFFAOYSA-N
XLogP5.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.20
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one (CID 134565241) is 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one is O=c1ccn(Cc2ccc(F)cc2)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is KOMFOKVAKSQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO/c19-16-3-1-2-15(18(16)20)17-10-14(23)8-9-22(17)11-12-4-6-13(21)7-5-12/h1-10H,11H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one?
2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 348.20 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-[(4-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).