5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one

C8H11FN2O — CID 126652083

IUPAC5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1cc(F)cn(C)c1=O
InChIInChI=1S/C8H11FN2O/c1-10-4-6-3-7(9)5-11(2)8(6)12/h3,5,10H,4H2,1-2H3
InChIKeyNOVLILDICIBMQK-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.24
Rot. Bonds2

About 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one

5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 126652083) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one
PubChem CID126652083
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1cc(F)cn(C)c1=O
InChIInChI=1S/C8H11FN2O/c1-10-4-6-3-7(9)5-11(2)8(6)12/h3,5,10H,4H2,1-2H3
InChIKeyNOVLILDICIBMQK-UHFFFAOYSA-N
XLogP0.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
3-(Aminomethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 12847833
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
3-(Aminomethyl)-5-methylpyridin-2-ol
CID 62652428
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
1,2-Dihydropyridine-3-carboxamide
CID 5231521
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
1-Methyl-1,2-dihydropyridine-3-carboxamide
CID 17944990
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
n1-Methylnicotinamide-d4
CID 163284730

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one (CID 126652083) is 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one is CNCc1cc(F)cn(C)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is NOVLILDICIBMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-10-4-6-3-7(9)5-11(2)8(6)12/h3,5,10H,4H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one?
5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 126652083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).