3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one

C8H10FNO2 — CID 69084805

IUPAC3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1cn(C)c(C)c(F)c1=O
InChIInChI=1S/C8H10FNO2/c1-5-7(9)8(11)6(12-3)4-10(5)2/h4H,1-3H3
InChIKeyPSYSEZCQOMMRBR-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.84
Rot. Bonds1

About 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one

3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one (PubChem CID 69084805) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one
PubChem CID69084805
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1cn(C)c(C)c(F)c1=O
InChIInChI=1S/C8H10FNO2/c1-5-7(9)8(11)6(12-3)4-10(5)2/h4H,1-3H3
InChIKeyPSYSEZCQOMMRBR-UHFFFAOYSA-N
XLogP0.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1,2-dimethyl-pyridin-4-one
CID 13011399
3-Methoxy-1-methyl-2-(trifluoromethyl)pyridin-4-one
CID 69084126
5-Fluoro-3-methoxy-1,2-dimethyl-4(1H)-pyridinone
CID 89163946
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
3-(Deuteriomethoxy)-1,2-dimethylpyridin-4-one
CID 118488333
5-Methoxy-1,2-dimethylpyridin-4-one
CID 5314149
1,2-Diethyl-3-methoxypyridin-4-one
CID 11805364
5-Methoxy-2-methyl-1-propylpyridin-4-one
CID 85595354
3-Methoxy-2-methyl-1-propylpyridin-4-one
CID 85595357
1-Ethyl-3-methoxy-2-methylpyridin-4-one
CID 85686823
3-Hydroxy-5-methoxy-1,2-dimethylpyridin-4-one
CID 101905677

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one (CID 69084805) is 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one is COc1cn(C)c(C)c(F)c1=O.
What is the InChIKey of 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one?
The InChIKey is PSYSEZCQOMMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-7(9)8(11)6(12-3)4-10(5)2/h4H,1-3H3.
What are the key properties of 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one?
3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one has a molecular weight of 171.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 69084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).