5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one

C12H10F3N3OS — CID 67312112

IUPAC5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)20-9-4-2-1-3-8(9)17-11-7(16)5-6-10(19)18-11/h1-6H,16H2,(H2,17,18,19)
InChIKeyBTZGMYRMAOVGTQ-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one

5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one (PubChem CID 67312112) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one
PubChem CID67312112
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)20-9-4-2-1-3-8(9)17-11-7(16)5-6-10(19)18-11/h1-6H,16H2,(H2,17,18,19)
InChIKeyBTZGMYRMAOVGTQ-UHFFFAOYSA-N
XLogP3.31
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one (CID 67312112) is 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one is Nc1ccc(=O)[nH]c1Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one?
The InChIKey is BTZGMYRMAOVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)20-9-4-2-1-3-8(9)17-11-7(16)5-6-10(19)18-11/h1-6H,16H2,(H2,17,18,19).
What are the key properties of 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one?
5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one has a molecular weight of 301.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(trifluoromethylsulfanyl)anilino]-1H-pyridin-2-one is sourced from PubChem (CID 67312112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).