2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one

C12H9F2NO — CID 68925611

IUPAC2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(-c2cccc(F)c2F)cc1=O
InChIInChI=1S/C12H9F2NO/c1-7-6-15-10(5-11(7)16)8-3-2-4-9(13)12(8)14/h2-6H,1H3,(H,15,16)
InChIKeyVFKOJQRBOLNLAF-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.63
Rot. Bonds1

About 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one

2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one (PubChem CID 68925611) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one
PubChem CID68925611
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(-c2cccc(F)c2F)cc1=O
InChIInChI=1S/C12H9F2NO/c1-7-6-15-10(5-11(7)16)8-3-2-4-9(13)12(8)14/h2-6H,1H3,(H,15,16)
InChIKeyVFKOJQRBOLNLAF-UHFFFAOYSA-N
XLogP2.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one (CID 68925611) is 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one is Cc1c[nH]c(-c2cccc(F)c2F)cc1=O.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one?
The InChIKey is VFKOJQRBOLNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-7-6-15-10(5-11(7)16)8-3-2-4-9(13)12(8)14/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one?
2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one has a molecular weight of 221.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 68925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).