3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C7H7F3N2O — CID 82504879

IUPAC3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-11)6(13)12-5/h1-2H,3,11H2,(H,12,13)
InChIKeyXHUAJUBZFDTRNJ-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.85
Rot. Bonds1

About 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 82504879) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID82504879
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-11)6(13)12-5/h1-2H,3,11H2,(H,12,13)
InChIKeyXHUAJUBZFDTRNJ-UHFFFAOYSA-N
XLogP0.85
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 82504879) is 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is NCc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XHUAJUBZFDTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-11)6(13)12-5/h1-2H,3,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82504879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).