2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H5F5N2O2 — CID 118996110

IUPAC2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)2-1-3(15)4(6(13)14-2)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyMIDLKRYIDZNFQD-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one

2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118996110) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118996110
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)2-1-3(15)4(6(13)14-2)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyMIDLKRYIDZNFQD-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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Related Compounds

2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030326
2-fluoro-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030327
2-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118838766
2-Chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 118997994
2-Amino-6-(difluoromethyl)pyridine-3,4-diol
CID 119007865
2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 119008377
2-Amino-6-(difluoromethyl)-3-methoxypyridin-4-ol
CID 119009923
2-Bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-ol
CID 119010794
6-amino-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 119021734
6-(difluoromethyl)-2-fluoro-3-methoxy-1H-pyridin-4-one
CID 130079255
6-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130083330
2-amino-6-(difluoromethyl)-1H-pyridin-4-one
CID 130094636

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118996110) is 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is Nc1[nH]c(C(F)F)cc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is MIDLKRYIDZNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-5(9)2-1-3(15)4(6(13)14-2)16-7(10,11)12/h1,5H,(H3,13,14,15).
What are the key properties of 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-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 2-amino-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118996110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).