4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H5F5N2O2 — CID 118817785

IUPAC4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)2-1-14-6(15)4(3(2)13)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyWHEVOCJXYTWPCS-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.79
Rot. Bonds2

About 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118817785) has the molecular formula C7H5F5N2O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118817785
Molecular FormulaC7H5F5N2O2
Molecular Weight244.12 g/mol
Exact Mass244.03
IUPAC Name4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H5F5N2O2/c8-5(9)2-1-14-6(15)4(3(2)13)16-7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyWHEVOCJXYTWPCS-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

4-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134666315
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118817785) is 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is Nc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is WHEVOCJXYTWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2/c8-5(9)2-1-14-6(15)4(3(2)13)16-7(10,11)12/h1,5H,(H3,13,14,15).
What are the key properties of 4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
4-amino-5-(difluoromethyl)-3-(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)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118817785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).