2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one

C12H9F2NO — CID 106520830

IUPAC2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one
SMILESCc1ccc(F)c(-c2cc(=O)cc[nH]2)c1F
InChIInChI=1S/C12H9F2NO/c1-7-2-3-9(13)11(12(7)14)10-6-8(16)4-5-15-10/h2-6H,1H3,(H,15,16)
InChIKeyGOCTWAVOZQVDGO-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.63
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one

2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one (PubChem CID 106520830) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one
PubChem CID106520830
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one
SMILESCc1ccc(F)c(-c2cc(=O)cc[nH]2)c1F
InChIInChI=1S/C12H9F2NO/c1-7-2-3-9(13)11(12(7)14)10-6-8(16)4-5-15-10/h2-6H,1H3,(H,15,16)
InChIKeyGOCTWAVOZQVDGO-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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Related Compounds

6-(2,6-difluoro-3-methylphenyl)-1H-pyridin-2-one
CID 106520845
8-fluoro-5-methyl-2H-isoquinolin-1-one
CID 114517488
3-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 67033473
2-(4-fluoro-2-hydroxyphenyl)-1H-pyridin-4-one
CID 53229245
1,4-difluoro-5,8-dimethylanthracene-9,10-dione
CID 10890992
2-(2-fluoro-6-methylphenyl)-1H-pyrrole
CID 137332729
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-4-thione
CID 106520877
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
2-sulfanyl-1H-pyridin-4-one
CID 19816896
4-fluoro-5-methyl-1H-indole-2,3-dione
CID 68679007
2-(4-chloro-5-methylthiophen-3-yl)-1H-pyridin-4-one
CID 67880219
3-(2,6-difluoro-3-methylphenyl)benzoic acid
CID 82822076

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one (CID 106520830) is 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one is Cc1ccc(F)c(-c2cc(=O)cc[nH]2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one?
The InChIKey is GOCTWAVOZQVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-7-2-3-9(13)11(12(7)14)10-6-8(16)4-5-15-10/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one?
2-(2,6-difluoro-3-methylphenyl)-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-(2,6-difluoro-3-methylphenyl)-1H-pyridin-4-one is sourced from PubChem (CID 106520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).