6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C7H5F5N2O — CID 130104763

IUPAC6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H5F5N2O/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15/h1,4H,(H3,13,14,15)
InChIKeyGEYDUYHEHZLJEL-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.91
Rot. Bonds1

About 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130104763) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130104763
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1[nH]c(=O)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H5F5N2O/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15/h1,4H,(H3,13,14,15)
InChIKeyGEYDUYHEHZLJEL-UHFFFAOYSA-N
XLogP1.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130082727
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
CID 130104544
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
3-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130110303
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 130104763) is 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is Nc1[nH]c(=O)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GEYDUYHEHZLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15/h1,4H,(H3,13,14,15).
What are the key properties of 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 228.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).