3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one

C8H9F3N2O — CID 123174105

IUPAC3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(CN)c1=O
InChIInChI=1S/C8H9F3N2O/c1-13-4-6(8(9,10)11)2-5(3-12)7(13)14/h2,4H,3,12H2,1H3
InChIKeyAGKUYTGQWHODKA-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.86
Rot. Bonds1

About 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 123174105) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID123174105
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(CN)c1=O
InChIInChI=1S/C8H9F3N2O/c1-13-4-6(8(9,10)11)2-5(3-12)7(13)14/h2,4H,3,12H2,1H3
InChIKeyAGKUYTGQWHODKA-UHFFFAOYSA-N
XLogP0.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
3-(Aminomethyl)-5-methylpyridin-2-ol
CID 62652428
3-(Aminomethyl)-5-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 91647545
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003
5-Methyl-3-(trifluoromethyl)pyridin-2-ol
CID 59420216
3,4,5-tris(fluoromethyl)-1H-pyridin-2-one
CID 67155112
3,5-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 67612989
5-tert-butyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 68061654
5-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 70811435
1-Methyl-3,5-bis(trifluoromethyl)pyridine-2(1H)-one
CID 71737237
1-(trifluoromethyl)-3,6-dihydro-2H-pyridine-5-carboxamide
CID 89601101

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 123174105) is 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)cc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is AGKUYTGQWHODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13-4-6(8(9,10)11)2-5(3-12)7(13)14/h2,4H,3,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 123174105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).