2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one

C8H7F3N2O2 — CID 162562187

IUPAC2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1c(N=O)c(=O)ccn1CC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-5-7(12-15)6(14)2-3-13(5)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyRRLYCXMZFYJYIN-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one

2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 162562187) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID162562187
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1c(N=O)c(=O)ccn1CC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c1-5-7(12-15)6(14)2-3-13(5)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyRRLYCXMZFYJYIN-UHFFFAOYSA-N
XLogP2.12
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 11630997
4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 70237327
1-methyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 115773713
5-iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 59541751
bis(1-ethyl-3-hydroxy-2-methylpyridin-4-one);oxovanadium
CID 10883182
3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one
CID 171437377
7-bromo-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
CID 59420849
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
7-(2,2,2-trifluoroethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138608380
1-(2,2,2-trifluoroethyl)pyrrole-2-carbaldehyde
CID 43476990
3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 19821577
N-[(Z)-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 6282077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 162562187) is 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one is Cc1c(N=O)c(=O)ccn1CC(F)(F)F.
What is the InChIKey of 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is RRLYCXMZFYJYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-5-7(12-15)6(14)2-3-13(5)4-8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one?
2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 220.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 162562187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).