4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one

C10H12BrN3O — CID 168699843

IUPAC4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(N)CC2=O)c(Br)n1
InChIInChI=1S/C10H12BrN3O/c1-6-2-3-8(10(11)13-6)14-5-7(12)4-9(14)15/h2-3,7H,4-5,12H2,1H3
InChIKeyQPXUYWMELLXVRS-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.22
Rot. Bonds1

About 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one

4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168699843) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID168699843
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(N)CC2=O)c(Br)n1
InChIInChI=1S/C10H12BrN3O/c1-6-2-3-8(10(11)13-6)14-5-7(12)4-9(14)15/h2-3,7H,4-5,12H2,1H3
InChIKeyQPXUYWMELLXVRS-UHFFFAOYSA-N
XLogP1.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.22
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-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168699646
1-(2-bromo-6-methoxy-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504219
4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168507873
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
CID 168700541
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673863

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one (CID 168699843) is 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one is Cc1ccc(N2CC(N)CC2=O)c(Br)n1.
What is the InChIKey of 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is QPXUYWMELLXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6-2-3-8(10(11)13-6)14-5-7(12)4-9(14)15/h2-3,7H,4-5,12H2,1H3.
What are the key properties of 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one?
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168699843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).