(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate

C11H7F3N2O4 — CID 154824711

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)7-3-1-2-6(15-7)10(19)20-16-8(17)4-5-9(16)18/h1-3H,4-5H2
InChIKeyNAKPITNTOGIRAR-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.32
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 154824711) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID154824711
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)7-3-1-2-6(15-7)10(19)20-16-8(17)4-5-9(16)18/h1-3H,4-5H2
InChIKeyNAKPITNTOGIRAR-UHFFFAOYSA-N
XLogP1.32
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-Pyridinedicarboxylic acid
CID 10367
6-(Pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558255
2,6-Pyridine dicarboxylate
CID 5044011
2,6-Pyridinedicarboxylic acid, 1-oxide
CID 85179
Methyl 6-(trifluoromethyl)pyridine-2-carboxylate
CID 45158822
Disodium pyridine-2,6-dicarboxylate
CID 3015002
6-(Trifluoromethyl)pyridine-2-carboxylic acid
CID 14761453
Methyl 6-(difluoromethyl)pyridine-2-carboxylate
CID 69673506
6-(Difluoromethyl)pyridine-2-carboxylic acid
CID 69673567
6-(1,1-Difluoroethyl)pyridine-2-carboxylic acid
CID 84719052
6-(Difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130096474
6-(Methoxycarbamoyl)pyridine-2-carboxylic acid
CID 172469451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate (CID 154824711) is (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is NAKPITNTOGIRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c12-11(13,14)7-3-1-2-6(15-7)10(19)20-16-8(17)4-5-9(16)18/h1-3H,4-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 288.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 154824711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).