3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one

C12H9F3N2O — CID 133091756

IUPAC3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESNc1c[nH]cc(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-4-2-1-3-7(9)8-5-17-6-10(16)11(8)18/h1-6H,16H2,(H,17,18)
InChIKeyJOGLWOJRQNGKML-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.64
Rot. Bonds1

About 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one

3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one (PubChem CID 133091756) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
PubChem CID133091756
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
SMILESNc1c[nH]cc(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-4-2-1-3-7(9)8-5-17-6-10(16)11(8)18/h1-6H,16H2,(H,17,18)
InChIKeyJOGLWOJRQNGKML-UHFFFAOYSA-N
XLogP2.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 87519172
2-[2-(trifluoromethyl)phenyl]benzene-1,4-diamine;dihydrochloride
CID 18371370
3-amino-1-methyl-5-[2-(trifluoromethyl)phenyl]pyridin-2-one
CID 117222134
3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 117222528
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
5-amino-3-[2-(trifluoromethyl)phenyl]-4H-isoquinolin-1-one
CID 90203180

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one (CID 133091756) is 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one is Nc1c[nH]cc(-c2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
The InChIKey is JOGLWOJRQNGKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)9-4-2-1-3-7(9)8-5-17-6-10(16)11(8)18/h1-6H,16H2,(H,17,18).
What are the key properties of 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one?
3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one has a molecular weight of 254.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 133091756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).