5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one

C18H13F2NO — CID 118316459

IUPAC5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C18H13F2NO/c1-11-10-16(12-2-6-14(19)7-3-12)17(21-18(11)22)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22)
InChIKeyJYMQZRLQWWQANZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.30
Rot. Bonds2

About 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one

5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one (PubChem CID 118316459) has the molecular formula C18H13F2NO and a molecular weight of 297.30 g/mol. Its IUPAC name is 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
PubChem CID118316459
Molecular FormulaC18H13F2NO
Molecular Weight297.30 g/mol
Exact Mass297.10
IUPAC Name5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C18H13F2NO/c1-11-10-16(12-2-6-14(19)7-3-12)17(21-18(11)22)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22)
InChIKeyJYMQZRLQWWQANZ-UHFFFAOYSA-N
XLogP4.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one (CID 118316459) is 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one is Cc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is JYMQZRLQWWQANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO/c1-11-10-16(12-2-6-14(19)7-3-12)17(21-18(11)22)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22).
What are the key properties of 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one?
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 297.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118316459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).