2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

C8H9F3N2O2 — CID 118836788

IUPAC2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c(CN)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4-5(2-12)13-3-6(7(4)14)15-8(9,10)11/h3H,2,12H2,1H3,(H,13,14)
InChIKeyHIKMOZGGTAOZFU-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.04
Rot. Bonds2

About 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118836788) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118836788
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c(CN)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4-5(2-12)13-3-6(7(4)14)15-8(9,10)11/h3H,2,12H2,1H3,(H,13,14)
InChIKeyHIKMOZGGTAOZFU-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

Analyze 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 90985226
2-(Aminomethyl)-5-(difluoromethyl)-3,4-dihydroxypyridine
CID 118803037
2-(Aminomethyl)-5-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118803054
2-[6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118803165
2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine
CID 118803692
2-(Difluoromethyl)-4-hydroxy-5-methoxypyridine-3-acetonitrile
CID 118803700
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-5-methylpyridine
CID 118808708
2-[2-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118814322
2-(Difluoromethyl)-4-hydroxy-3-methyl-5-(trifluoromethoxy)pyridine
CID 118820372
2-[4-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 118821734
2-(Difluoromethyl)-4-hydroxy-3-methoxy-5-methylpyridine
CID 118831668
2-(bromomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832702

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 118836788) is 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is Cc1c(CN)[nH]cc(OC(F)(F)F)c1=O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is HIKMOZGGTAOZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4-5(2-12)13-3-6(7(4)14)15-8(9,10)11/h3H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-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 2-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118836788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).