1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one

C10H13F2NO2 — CID 106172535

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(F)(F)CO
InChIInChI=1S/C10H13F2NO2/c1-7-3-9(15)4-8(2)13(7)5-10(11,12)6-14/h3-4,14H,5-6H2,1-2H3
InChIKeyVPPIOVSWYTXERT-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.09
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one

1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one (PubChem CID 106172535) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one
PubChem CID106172535
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(F)(F)CO
InChIInChI=1S/C10H13F2NO2/c1-7-3-9(15)4-8(2)13(7)5-10(11,12)6-14/h3-4,14H,5-6H2,1-2H3
InChIKeyVPPIOVSWYTXERT-UHFFFAOYSA-N
XLogP1.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-ethyl)-1H-pyridin-4-one
CID 25018650
6-(Difluoromethyl)-2-ethyl-3-hydroxy-1-methylpyridin-4-one
CID 25018906
3-hydroxy-1,2-dimethyl-6-(2,2,2-trifluoro-ethyl)-1H-pyridin-4-one
CID 67281623
2-Ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 70935169
1,2-Dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 141316241
2,6-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-4-one
CID 105649097
1-(3,3-Difluoro-2-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 105649180
3-Hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 19786808
3-Hydroxy-2-(2-hydroxyethyl)-1,6-dimethylpyridin-4-one
CID 69176302
1-(1-Hydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884590
1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
CID 79884967
1-(2,3-Dihydroxypropyl)-2,6-dimethylpyridin-4-one
CID 79885401

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one (CID 106172535) is 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is VPPIOVSWYTXERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-7-3-9(15)4-8(2)13(7)5-10(11,12)6-14/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one?
1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 217.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 106172535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).