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

C8H10FNO2 — CID 89163946

IUPAC5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)cc(F)c1=O
InChIInChI=1S/C8H10FNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3
InChIKeyMRQNTTOXIIMOGF-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.84
Rot. Bonds1

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

5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one (PubChem CID 89163946) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one
PubChem CID89163946
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)cc(F)c1=O
InChIInChI=1S/C8H10FNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3
InChIKeyMRQNTTOXIIMOGF-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
5-Fluoro-3-hydroxy-1,2-dimethylpyridin-4-one
CID 44192605
3-Methoxy-1-methyl-2-(trifluoromethyl)pyridin-4-one
CID 69084126
3-Fluoro-5-methoxy-1,2-dimethylpyridin-4-one
CID 69084805
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
2-(difluoromethyl)-3,5-dimethoxy-1H-pyridin-4-one
CID 130100871
3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111692
3-Ethoxy-2-ethyl-1-methylpyridin-4-one
CID 118488332
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-Bromo-3-methoxy-1,2-dimethyl-4(1H)-pyridinone
CID 12511612

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one (CID 89163946) is 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one is COc1c(C)n(C)cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one?
The InChIKey is MRQNTTOXIIMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3.
What are the key properties of 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one?
5-fluoro-3-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 5-fluoro-3-methoxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 89163946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).