3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

C8H9F3N2O — CID 107017505

IUPAC3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNCc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-12)7(13)14/h1-3H,4-5,12H2
InChIKeySOTVREYEHNLXLX-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds2

About 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 107017505) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID107017505
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNCc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-12)7(13)14/h1-3H,4-5,12H2
InChIKeySOTVREYEHNLXLX-UHFFFAOYSA-N
XLogP0.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
2-Oxo-3-(trifluoromethyl)-1(2H)-pyridinepropanenitrile
CID 2736731
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
1-Propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 59225358
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 68721257

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 107017505) is 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is NCc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is SOTVREYEHNLXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-13-3-1-2-6(4-12)7(13)14/h1-3H,4-5,12H2.
What are the key properties of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 107017505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).