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

C8H11Cl2F3N2O — CID 90150835

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C8H9F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2H,3,12H2,1H3,(H,13,14);2*1H
InChIKeyKMFWVVGMPWKNCP-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.00
Rot. Bonds1

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

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride (PubChem CID 90150835) has the molecular formula C8H11Cl2F3N2O and a molecular weight of 279.09 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride
PubChem CID90150835
Molecular FormulaC8H11Cl2F3N2O
Molecular Weight279.09 g/mol
Exact Mass278.02
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C8H9F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2H,3,12H2,1H3,(H,13,14);2*1H
InChIKeyKMFWVVGMPWKNCP-UHFFFAOYSA-N
XLogP2.00
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.00
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;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride (CID 90150835) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride is Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl.Cl.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride?
The InChIKey is KMFWVVGMPWKNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.2ClH/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;;/h2H,3,12H2,1H3,(H,13,14);2*1H.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;dihydrochloride has a molecular weight of 279.09 g/mol, XLogP of 2.00, 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;dihydrochloride is sourced from PubChem (CID 90150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).