1-(2,5-difluorophenyl)-2-methylpyridin-4-one

C12H9F2NO — CID 155936797

IUPAC1-(2,5-difluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1-c1cc(F)ccc1F
InChIInChI=1S/C12H9F2NO/c1-8-6-10(16)4-5-15(8)12-7-9(13)2-3-11(12)14/h2-7H,1H3
InChIKeyKDDLYGSROODYNM-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.42
Rot. Bonds1

About 1-(2,5-difluorophenyl)-2-methylpyridin-4-one

1-(2,5-difluorophenyl)-2-methylpyridin-4-one (PubChem CID 155936797) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methylpyridin-4-one
PubChem CID155936797
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-(2,5-difluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1-c1cc(F)ccc1F
InChIInChI=1S/C12H9F2NO/c1-8-6-10(16)4-5-15(8)12-7-9(13)2-3-11(12)14/h2-7H,1H3
InChIKeyKDDLYGSROODYNM-UHFFFAOYSA-N
XLogP2.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methylpyridin-4-one (CID 155936797) is 1-(2,5-difluorophenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methylpyridin-4-one is Cc1cc(=O)ccn1-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methylpyridin-4-one?
The InChIKey is KDDLYGSROODYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-8-6-10(16)4-5-15(8)12-7-9(13)2-3-11(12)14/h2-7H,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-methylpyridin-4-one?
1-(2,5-difluorophenyl)-2-methylpyridin-4-one has a molecular weight of 221.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 155936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).