5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one

C6H3F3N2O2 — CID 138748755

IUPAC5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=Nc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(12)3(11-13)2-10-5/h1-2H,(H,10,12)
InChIKeyUUIQGJGICMCLEG-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.79
Rot. Bonds1

About 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one

5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 138748755) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID138748755
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=Nc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(12)3(11-13)2-10-5/h1-2H,(H,10,12)
InChIKeyUUIQGJGICMCLEG-UHFFFAOYSA-N
XLogP1.79
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one (CID 138748755) is 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one is O=Nc1c[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is UUIQGJGICMCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(12)3(11-13)2-10-5/h1-2H,(H,10,12).
What are the key properties of 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one?
5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 192.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 138748755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).