4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

C10H9BrF3N3O — CID 168700882

IUPAC4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C10H9BrF3N3O/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(15)2-8(17)18/h1,3,6H,2,4,15H2
InChIKeyHGHJBXQCNFZISU-UHFFFAOYSA-N
MW324.10 g/mol
LogP1.93
Rot. Bonds1

About 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 168700882) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID168700882
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C10H9BrF3N3O/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(15)2-8(17)18/h1,3,6H,2,4,15H2
InChIKeyHGHJBXQCNFZISU-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663830
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
CID 168700362
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (CID 168700882) is 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is NC1CC(=O)N(c2ncc(C(F)(F)F)cc2Br)C1.
What is the InChIKey of 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is HGHJBXQCNFZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(15)2-8(17)18/h1,3,6H,2,4,15H2.
What are the key properties of 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 324.10 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168700882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).