3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride

C8H10ClF3N2O — CID 90102279

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C8H9F3N2O.ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h2H,3,12H2,1H3,(H,13,14);1H
InChIKeyATIZGVDXSOWZJE-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.58
Rot. Bonds1

About 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 90102279) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID90102279
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C8H9F3N2O.ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h2H,3,12H2,1H3,(H,13,14);1H
InChIKeyATIZGVDXSOWZJE-UHFFFAOYSA-N
XLogP1.58
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride (CID 90102279) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride is Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is ATIZGVDXSOWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h2H,3,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 90102279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).