1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C11H9BrF3N3O2 — CID 168698103

IUPAC1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C11H9BrF3N3O2/c12-7-2-6(11(13,14)15)3-17-10(7)18-4-5(9(16)20)1-8(18)19/h2-3,5H,1,4H2,(H2,16,20)
InChIKeyXWUNADPIZHLLMM-UHFFFAOYSA-N
MW352.11 g/mol
LogP1.70
Rot. Bonds2

About 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide

1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698103) has the molecular formula C11H9BrF3N3O2 and a molecular weight of 352.11 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698103
Molecular FormulaC11H9BrF3N3O2
Molecular Weight352.11 g/mol
Exact Mass350.98
IUPAC Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C11H9BrF3N3O2/c12-7-2-6(11(13,14)15)3-17-10(7)18-4-5(9(16)20)1-8(18)19/h2-3,5H,1,4H2,(H2,16,20)
InChIKeyXWUNADPIZHLLMM-UHFFFAOYSA-N
XLogP1.70
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15296268
5-bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one
CID 15504062
2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
2-Acetylamino-3-bromo-5-methylpyridine
CID 15179564
N-(5-Bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
CID 18329348
N-(5-Bromo-3-methylpyridin-2-yl)-2,2-dimethylpropanamide
CID 42553022
1-(5-Bromopyridin-2-yl)pyrrolidin-2-one
CID 49853518
5-oxo-1-propyl-N-2-pyridinyl-3-pyrrolidinecarboxamide
CID 45596599
2-[acetyl(methyl)amino]-5-bromo-N,N-dimethylpyridine-3-carboxamide
CID 172438177
1-(4-bromophenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2926535
5-Bromo-1,3-dihydro-1,3,3-trimethyl-2H-pyrrolo[2,3-b]pyridin-2-one
CID 10753487
N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
CID 18329347

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 168698103) is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWUNADPIZHLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2/c12-7-2-6(11(13,14)15)3-17-10(7)18-4-5(9(16)20)1-8(18)19/h2-3,5H,1,4H2,(H2,16,20).
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.11 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).