2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one

C19H15ClFNO — CID 142452860

IUPAC2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one
SMILESCc1cn(-c2ccccc2)c(-c2ccc(Cl)cc2F)c(C)c1=O
InChIInChI=1S/C19H15ClFNO/c1-12-11-22(15-6-4-3-5-7-15)18(13(2)19(12)23)16-9-8-14(20)10-17(16)21/h3-11H,1-2H3
InChIKeyWSNXEJOWDPSHPZ-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.91
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one

2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one (PubChem CID 142452860) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one
PubChem CID142452860
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one
SMILESCc1cn(-c2ccccc2)c(-c2ccc(Cl)cc2F)c(C)c1=O
InChIInChI=1S/C19H15ClFNO/c1-12-11-22(15-6-4-3-5-7-15)18(13(2)19(12)23)16-9-8-14(20)10-17(16)21/h3-11H,1-2H3
InChIKeyWSNXEJOWDPSHPZ-UHFFFAOYSA-N
XLogP4.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one (CID 142452860) is 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one is Cc1cn(-c2ccccc2)c(-c2ccc(Cl)cc2F)c(C)c1=O.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one?
The InChIKey is WSNXEJOWDPSHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c1-12-11-22(15-6-4-3-5-7-15)18(13(2)19(12)23)16-9-8-14(20)10-17(16)21/h3-11H,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one?
2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one has a molecular weight of 327.79 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1-phenylpyridin-4-one is sourced from PubChem (CID 142452860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).