1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one

C18H12F3NO — CID 4060443

IUPAC1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1Cc1ccc(F)cc1F
InChIInChI=1S/C18H12F3NO/c19-15-5-1-12(2-6-15)13-4-8-18(23)22(10-13)11-14-3-7-16(20)9-17(14)21/h1-10H,11H2
InChIKeyLVDBCUSMPRCAAK-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.98
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one

1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one (PubChem CID 4060443) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
PubChem CID4060443
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1Cc1ccc(F)cc1F
InChIInChI=1S/C18H12F3NO/c19-15-5-1-12(2-6-15)13-4-8-18(23)22(10-13)11-14-3-7-16(20)9-17(14)21/h1-10H,11H2
InChIKeyLVDBCUSMPRCAAK-UHFFFAOYSA-N
XLogP3.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one (CID 4060443) is 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one is O=c1ccc(-c2ccc(F)cc2)cn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The InChIKey is LVDBCUSMPRCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-15-5-1-12(2-6-15)13-4-8-18(23)22(10-13)11-14-3-7-16(20)9-17(14)21/h1-10H,11H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one has a molecular weight of 315.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 4060443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).