3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

Name: 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁F₃N₂O — CID 105475195

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

SMILESCc1cc(C)n(C(F)(F)F)c(=O)c1CN

InChIInChI=1S/C9H11F3N2O/c1-5-3-6(2)14(9(10,11)12)8(15)7(5)4-13/h3H,4,13H2,1-2H3

InChIKeyUYIYMYWITZKDAO-UHFFFAOYSA-N

MW220.19 g/mol

LogP1.40

Rot. Bonds1

About 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105475195) has the molecular formula C₉H₁₁F₃N₂O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name	3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID	105475195
Molecular Formula	C₉H₁₁F₃N₂O
Molecular Weight	220.19 g/mol
Exact Mass	220.08
IUPAC Name	3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILES	Cc1cc(C)n(C(F)(F)F)c(=O)c1CN
InChI	InChI=1S/C9H11F3N2O/c1-5-3-6(2)14(9(10,11)12)8(15)7(5)4-13/h3H,4,13H2,1-2H3
InChIKey	UYIYMYWITZKDAO-UHFFFAOYSA-N
XLogP	1.40
TPSA	48.02 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.19
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (CID 105475195) is 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is Cc1cc(C)n(C(F)(F)F)c(=O)c1CN.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?

The InChIKey is UYIYMYWITZKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-3-6(2)14(9(10,11)12)8(15)7(5)4-13/h3H,4,13H2,1-2H3.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?

3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105475195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 105475195 — identifiers, structure, computed properties (public domain)

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