1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one

C12H7Cl2F3N2O — CID 15457050

IUPAC1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one
SMILESNn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H7Cl2F3N2O/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)19(18)11(8)20/h1-5H,18H2
InChIKeyYGWQTKLANLMKLH-UHFFFAOYSA-N
MW323.10 g/mol
LogP3.55
Rot. Bonds1

About 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one

1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 15457050) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID15457050
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one
SMILESNn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H7Cl2F3N2O/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)19(18)11(8)20/h1-5H,18H2
InChIKeyYGWQTKLANLMKLH-UHFFFAOYSA-N
XLogP3.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one (CID 15457050) is 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one is Nn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is YGWQTKLANLMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)19(18)11(8)20/h1-5H,18H2.
What are the key properties of 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one?
1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 323.10 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 15457050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).