4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one

C10H11BrClN3O — CID 168661090

IUPAC4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C10H11BrClN3O/c11-7-2-8(10(12)14-4-7)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2
InChIKeyHFQZBPOSJQWLDK-UHFFFAOYSA-N
MW304.57 g/mol
LogP1.81
Rot. Bonds2

About 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168661090) has the molecular formula C10H11BrClN3O and a molecular weight of 304.57 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
PubChem CID168661090
Molecular FormulaC10H11BrClN3O
Molecular Weight304.57 g/mol
Exact Mass302.98
IUPAC Name4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C10H11BrClN3O/c11-7-2-8(10(12)14-4-7)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2
InChIKeyHFQZBPOSJQWLDK-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-bromopyridine-2-carboxylic acid
CID 168661089
1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505981
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one (CID 168661090) is 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one is NCC1CC(=O)N(c2cc(Br)cnc2Cl)C1.
What is the InChIKey of 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is HFQZBPOSJQWLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O/c11-7-2-8(10(12)14-4-7)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2.
What are the key properties of 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 304.57 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168661090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).