1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C13H8F6N2O — CID 87232370

IUPAC1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESNn1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)9-3-1-7(2-4-9)8-5-10(13(17,18)19)21(20)11(22)6-8/h1-6H,20H2
InChIKeyWRXGNUZEQPWTDE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.27
Rot. Bonds1

About 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 87232370) has the molecular formula C13H8F6N2O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID87232370
Molecular FormulaC13H8F6N2O
Molecular Weight322.21 g/mol
Exact Mass322.05
IUPAC Name1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESNn1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C13H8F6N2O/c14-12(15,16)9-3-1-7(2-4-9)8-5-10(13(17,18)19)21(20)11(22)6-8/h1-6H,20H2
InChIKeyWRXGNUZEQPWTDE-UHFFFAOYSA-N
XLogP3.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 87232370) is 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is Nn1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)cc1=O.
What is the InChIKey of 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is WRXGNUZEQPWTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O/c14-12(15,16)9-3-1-7(2-4-9)8-5-10(13(17,18)19)21(20)11(22)6-8/h1-6H,20H2.
What are the key properties of 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 322.21 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 87232370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).