2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

C8H9F3N2O2 — CID 118825725

IUPAC2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1cc(=O)c(OC(F)(F)F)c(CN)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-4-2-6(14)7(5(3-12)13-4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyLJOWEZWCKBJQKR-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.04
Rot. Bonds2

About 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118825725) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118825725
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1cc(=O)c(OC(F)(F)F)c(CN)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-4-2-6(14)7(5(3-12)13-4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyLJOWEZWCKBJQKR-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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118825725) is 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is Cc1cc(=O)c(OC(F)(F)F)c(CN)[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is LJOWEZWCKBJQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4-2-6(14)7(5(3-12)13-4)15-8(9,10)11/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-6-methyl-3-(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)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118825725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).