1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one

C9H10F3N3O2 — CID 155172213

IUPAC1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(N=O)c(NC)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-3-15-6(9(10,11)12)4-5(14-17)7(13-2)8(15)16/h4,13H,3H2,1-2H3
InChIKeySHKLRSVYFJHGPW-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one

1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one (PubChem CID 155172213) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one
PubChem CID155172213
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)cc(N=O)c(NC)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-3-15-6(9(10,11)12)4-5(14-17)7(13-2)8(15)16/h4,13H,3H2,1-2H3
InChIKeySHKLRSVYFJHGPW-UHFFFAOYSA-N
XLogP2.33
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one (CID 155172213) is 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)cc(N=O)c(NC)c1=O.
What is the InChIKey of 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is SHKLRSVYFJHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-3-15-6(9(10,11)12)4-5(14-17)7(13-2)8(15)16/h4,13H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one?
1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 249.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 155172213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).