3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

C10H13F3N2O3 — CID 155146867

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(CN)c(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O.C2HF3O2/c1-5-3-6(2)10-8(11)7(5)4-9;3-2(4,5)1(6)7/h3H,4,9H2,1-2H3,(H,10,11);(H,6,7)
InChIKeyTWTIKGGNPYRZSD-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.08
Rot. Bonds1

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155146867) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID155146867
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(CN)c(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O.C2HF3O2/c1-5-3-6(2)10-8(11)7(5)4-9;3-2(4,5)1(6)7/h3H,4,9H2,1-2H3,(H,10,11);(H,6,7)
InChIKeyTWTIKGGNPYRZSD-UHFFFAOYSA-N
XLogP1.08
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (CID 155146867) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is Cc1cc(C)c(CN)c(=O)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is TWTIKGGNPYRZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2HF3O2/c1-5-3-6(2)10-8(11)7(5)4-9;3-2(4,5)1(6)7/h3H,4,9H2,1-2H3,(H,10,11);(H,6,7).
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 266.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155146867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).