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

C8H9F3N2O — CID 77284466

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one
SMILESCC1=NC(=O)C(CN)C(C(F)(F)F)=C1
InChIInChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,5H,3,12H2,1H3
InChIKeyZYHMJFZCPGMZIS-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.05
Rot. Bonds1

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

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one (PubChem CID 77284466) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one
PubChem CID77284466
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one
SMILESCC1=NC(=O)C(CN)C(C(F)(F)F)=C1
InChIInChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,5H,3,12H2,1H3
InChIKeyZYHMJFZCPGMZIS-UHFFFAOYSA-N
XLogP1.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one (CID 77284466) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one is CC1=NC(=O)C(CN)C(C(F)(F)F)=C1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one?
The InChIKey is ZYHMJFZCPGMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2,5H,3,12H2,1H3.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-3H-pyridin-2-one is sourced from PubChem (CID 77284466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).