3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one

C18H13ClFNO — CID 12879272

IUPAC3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one
SMILESCn1cc(-c2cccc(F)c2)c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H13ClFNO/c1-21-10-16(12-4-2-6-14(19)8-12)18(22)17(11-21)13-5-3-7-15(20)9-13/h2-11H,1H3
InChIKeyBKJNBZQCGWKLFF-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.51
Rot. Bonds2

About 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one

3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one (PubChem CID 12879272) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one
PubChem CID12879272
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one
SMILESCn1cc(-c2cccc(F)c2)c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H13ClFNO/c1-21-10-16(12-4-2-6-14(19)8-12)18(22)17(11-21)13-5-3-7-15(20)9-13/h2-11H,1H3
InChIKeyBKJNBZQCGWKLFF-UHFFFAOYSA-N
XLogP4.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one (CID 12879272) is 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one is Cn1cc(-c2cccc(F)c2)c(=O)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one?
The InChIKey is BKJNBZQCGWKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-21-10-16(12-4-2-6-14(19)8-12)18(22)17(11-21)13-5-3-7-15(20)9-13/h2-11H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one?
3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one has a molecular weight of 313.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(3-fluorophenyl)-1-methylpyridin-4-one is sourced from PubChem (CID 12879272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).