3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one

C8H11FN2O — CID 105434427

IUPAC3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one
SMILESCc1c(F)cc(CN)c(=O)n1C
InChIInChI=1S/C8H11FN2O/c1-5-7(9)3-6(4-10)8(12)11(5)2/h3H,4,10H2,1-2H3
InChIKeyHPQMLNLDAYOKBH-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.29
Rot. Bonds1

About 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one

3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one (PubChem CID 105434427) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one
PubChem CID105434427
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one
SMILESCc1c(F)cc(CN)c(=O)n1C
InChIInChI=1S/C8H11FN2O/c1-5-7(9)3-6(4-10)8(12)11(5)2/h3H,4,10H2,1-2H3
InChIKeyHPQMLNLDAYOKBH-UHFFFAOYSA-N
XLogP0.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030824
1-Methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39024342
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
3-(Aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one
CID 90102403
3-(Aminomethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 90143574
5-Fluoro-1-methyl-3-(methylaminomethyl)pyridin-2-one
CID 126652083
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
CID 141424034
N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
CID 148533312
6-(Difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154046702
N-prop-2-ynyl-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 156037952
(2E,4Z)-2-(aminomethyl)-N-(3,3-difluorobutyl)-N-methylhexa-2,4-dienamide
CID 166810685

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one (CID 105434427) is 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one is Cc1c(F)cc(CN)c(=O)n1C.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one?
The InChIKey is HPQMLNLDAYOKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5-7(9)3-6(4-10)8(12)11(5)2/h3H,4,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one?
3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 105434427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).