3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

C11H8F3N3O2 — CID 177167968

IUPAC3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C11H8F3N3O2/c1-6-4-9(18)17(10(6)19)16-8-3-2-7(5-15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeySETSZCZBYNKWKN-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione

3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (PubChem CID 177167968) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
PubChem CID177167968
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C11H8F3N3O2/c1-6-4-9(18)17(10(6)19)16-8-3-2-7(5-15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeySETSZCZBYNKWKN-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Hydrazinylisonicotinohydrazide
CID 46256572
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
5-amino-1-(pyridin-2-yl)-2,3-dihydro-1H-pyrazol-3-one
CID 459567
2-Aminopyridine-4-carbohydrazide
CID 322552
N'1-[5-(trifluoromethyl)-2-pyridyl]-2-methylpropanohydrazide
CID 2727167
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]hydrazine-1-carboxylate
CID 2727168
5-methyl-3-oxo-2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25098138
5-methyl-3-oxo-2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25098410
5-methyl-3-oxo-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25098412
Ethyl 2-[4-(trifluoromethyl)pyridin-2-yl]hydrazine-1-carboxylate
CID 590338
2-Hydrazinyl-3-(trifluoromethyl)pyridine
CID 2777776
2-Hydrazinyl-5-(trifluoromethyl)pyridine
CID 1477642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione (CID 177167968) is 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
The InChIKey is SETSZCZBYNKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-4-9(18)17(10(6)19)16-8-3-2-7(5-15-8)11(12,13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione?
3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione has a molecular weight of 271.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 177167968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).