1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one

C8H8F3N3O3 — CID 118865146

IUPAC1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c([N+](=O)[O-])cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H8F3N3O3/c1-12-6-4(14(16)17)3-5(8(9,10)11)13(2)7(6)15/h3,12H,1-2H3
InChIKeySBZPMXYVAIZYIF-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.35
Rot. Bonds2

About 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one

1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one (PubChem CID 118865146) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one
PubChem CID118865146
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c([N+](=O)[O-])cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H8F3N3O3/c1-12-6-4(14(16)17)3-5(8(9,10)11)13(2)7(6)15/h3,12H,1-2H3
InChIKeySBZPMXYVAIZYIF-UHFFFAOYSA-N
XLogP1.35
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one (CID 118865146) is 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one is CNc1c([N+](=O)[O-])cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is SBZPMXYVAIZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-12-6-4(14(16)17)3-5(8(9,10)11)13(2)7(6)15/h3,12H,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one?
1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 251.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118865146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).