1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C11H11BrN2O3 — CID 168691028

IUPAC1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(Br)nc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11BrN2O3/c1-6-2-3-8(12)13-10(6)14-5-7(11(16)17)4-9(14)15/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyNUIODYMDFXTHLD-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.59
Rot. Bonds2

About 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691028) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691028
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(Br)nc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H11BrN2O3/c1-6-2-3-8(12)13-10(6)14-5-7(11(16)17)4-9(14)15/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyNUIODYMDFXTHLD-UHFFFAOYSA-N
XLogP1.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-bromo-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691094
(3S)-1-(4-bromo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068718
(3R)-1-(4-bromo-1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 125492023
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 177346413
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691023
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(2-methyl-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691075
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691028) is 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is Cc1ccc(Br)nc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NUIODYMDFXTHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-6-2-3-8(12)13-10(6)14-5-7(11(16)17)4-9(14)15/h2-3,7H,4-5H2,1H3,(H,16,17).
What are the key properties of 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 299.12 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).