3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one

C9H13FN2O — CID 90102403

IUPAC3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one
SMILESCc1c(F)c(C)n(C)c(=O)c1CN
InChIInChI=1S/C9H13FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h4,11H2,1-3H3
InChIKeyFNUNFHKOYFJBSU-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.60
Rot. Bonds1

About 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one

3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one (PubChem CID 90102403) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one
PubChem CID90102403
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one
SMILESCc1c(F)c(C)n(C)c(=O)c1CN
InChIInChI=1S/C9H13FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h4,11H2,1-3H3
InChIKeyFNUNFHKOYFJBSU-UHFFFAOYSA-N
XLogP0.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-5-fluoro-4,6-dimethyl-2(1H)-pyridinone
CID 67124264
3-(Aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 71433049
3-(Aminomethyl)-5-fluoro-4-isopropyl-6-methylpyridin-2(1H)-one
CID 86684897
3-(Aminomethyl)-1,6-dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 90143574
3-(aminomethyl)-5-fluoro-6-methyl-4-propyl-1H-pyridin-2-one
CID 90151661
4-Amino-1-(3-fluorobutan-2-yl)-6-oxopyridine-3-carboxamide
CID 169126820
3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808299
1-ethyl-4,6-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 77087502
6-ethyl-1,5-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 77095902
3-(Aminomethyl)-5-fluoro-1,6-dimethylpyridin-2-one
CID 105434427
3-(Aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105475195
5-Amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105495725

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one (CID 90102403) is 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one is Cc1c(F)c(C)n(C)c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one?
The InChIKey is FNUNFHKOYFJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h4,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one?
3-(aminomethyl)-5-fluoro-1,4,6-trimethylpyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.60, 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-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 90102403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).