4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one

C9H10Br2N4O — CID 168700362

IUPAC4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
SMILESNc1c(Br)ncc(Br)c1N1CC(N)CC1=O
InChIInChI=1S/C9H10Br2N4O/c10-5-2-14-9(11)7(13)8(5)15-3-4(12)1-6(15)16/h2,4H,1,3,12-13H2
InChIKeyNDFWICHQUHJKBU-UHFFFAOYSA-N
MW350.01 g/mol
LogP1.25
Rot. Bonds1

About 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one

4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one (PubChem CID 168700362) has the molecular formula C9H10Br2N4O and a molecular weight of 350.01 g/mol. Its IUPAC name is 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
PubChem CID168700362
Molecular FormulaC9H10Br2N4O
Molecular Weight350.01 g/mol
Exact Mass347.92
IUPAC Name4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
SMILESNc1c(Br)ncc(Br)c1N1CC(N)CC1=O
InChIInChI=1S/C9H10Br2N4O/c10-5-2-14-9(11)7(13)8(5)15-3-4(12)1-6(15)16/h2,4H,1,3,12-13H2
InChIKeyNDFWICHQUHJKBU-UHFFFAOYSA-N
XLogP1.25
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-2,5-dibromo-4-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508541
S-[[1-(3-amino-2,5-dibromo-4-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667892
1-(4-amino-2,5-dibromo-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508540
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682216
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one (CID 168700362) is 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one is Nc1c(Br)ncc(Br)c1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is NDFWICHQUHJKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N4O/c10-5-2-14-9(11)7(13)8(5)15-3-4(12)1-6(15)16/h2,4H,1,3,12-13H2.
What are the key properties of 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one?
4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 350.01 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168700362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).