4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one

C8H9F3N2O2 — CID 118801085

IUPAC4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(CN)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-4-5(3-12)2-6(14)13-7(4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeySQFHIJLUHOLTMU-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.04
Rot. Bonds2

About 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one

4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118801085) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118801085
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(CN)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-4-5(3-12)2-6(14)13-7(4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeySQFHIJLUHOLTMU-UHFFFAOYSA-N
XLogP1.04
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Difluoromethyl)-6-methoxy-5-methylpyridin-2-ol
CID 118801364
4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 118805606
4-(Aminomethyl)-3-(difluoromethyl)-6-methoxypyridin-2-ol
CID 118807211
4-(Difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-2-ol
CID 118811657
4-(Aminomethyl)-5-(difluoromethyl)-6-methoxypyridin-2-ol
CID 118817886
4-(Difluoromethyl)-6-hydroxy-2-methoxynicotinamide
CID 118834252
4-(Aminomethyl)-3-(difluoromethyl)pyridine-2,6-diol
CID 118835418
4-(Difluoromethyl)-5-methyl-6-(trifluoromethoxy)pyridin-2-ol
CID 118841027
5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130079380
4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130079398
5-(difluoromethyl)-6-methoxy-4-methyl-1H-pyridin-2-one
CID 130083155
5-(aminomethyl)-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 130083209

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118801085) is 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1c(CN)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is SQFHIJLUHOLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4-5(3-12)2-6(14)13-7(4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 222.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118801085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).