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

C7H7F3N2O2 — CID 118848254

IUPAC2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-4(3-11)12-2-1-5(6)13/h1-2H,3,11H2,(H,12,13)
InChIKeyZSIANIMOOGFYLY-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.73
Rot. Bonds2

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

2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118848254) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118848254
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]ccc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-4(3-11)12-2-1-5(6)13/h1-2H,3,11H2,(H,12,13)
InChIKeyZSIANIMOOGFYLY-UHFFFAOYSA-N
XLogP0.73
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
4-Hydroxy-5-methoxy-2-(trifluoromethyl)pyridine
CID 102030325
2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803269
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine
CID 118808677
2-(aminomethyl)-3-bromo-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118808732
2-[4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 118816121
2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118825725
2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118842645
2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118849826
2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118853713
2-(aminomethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118853909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118848254) is 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]ccc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is ZSIANIMOOGFYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-4(3-11)12-2-1-5(6)13/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 208.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118848254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).