4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H5F5N2O2 — CID 118828986

IUPAC4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1cc(=O)[nH]c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)4-2(13)1-3(15)14-6(4)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyKQRNKZBHTUBGFM-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.79
Rot. Bonds2

About 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118828986) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118828986
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1cc(=O)[nH]c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)4-2(13)1-3(15)14-6(4)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyKQRNKZBHTUBGFM-UHFFFAOYSA-N
XLogP1.79
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118828986) is 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is Nc1cc(=O)[nH]c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is KQRNKZBHTUBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-5(9)4-2(13)1-3(15)14-6(4)16-7(10,11)12/h1,5H,(H3,13,14,15).
What are the key properties of 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 244.12 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118828986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).