3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

C13H11F3N2O — CID 165352282

IUPAC3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,7,17H2,(H,18,19)
InChIKeyYDPACYGZEQBAMA-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.52
Rot. Bonds2

About 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 165352282) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID165352282
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,7,17H2,(H,18,19)
InChIKeyYDPACYGZEQBAMA-UHFFFAOYSA-N
XLogP2.52
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 165352282) is 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is NCc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YDPACYGZEQBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,7,17H2,(H,18,19).
What are the key properties of 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 165352282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).