(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate

C11H9BrN2O4 — CID 172647195

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate
SMILESCc1nc(C(=O)ON2C(=O)CCC2=O)ccc1Br
InChIInChI=1S/C11H9BrN2O4/c1-6-7(12)2-3-8(13-6)11(17)18-14-9(15)4-5-10(14)16/h2-3H,4-5H2,1H3
InChIKeyCAMXWRKEUKEJIR-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.37
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate (PubChem CID 172647195) has the molecular formula C11H9BrN2O4 and a molecular weight of 313.11 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate
PubChem CID172647195
Molecular FormulaC11H9BrN2O4
Molecular Weight313.11 g/mol
Exact Mass311.97
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate
SMILESCc1nc(C(=O)ON2C(=O)CCC2=O)ccc1Br
InChIInChI=1S/C11H9BrN2O4/c1-6-7(12)2-3-8(13-6)11(17)18-14-9(15)4-5-10(14)16/h2-3H,4-5H2,1H3
InChIKeyCAMXWRKEUKEJIR-UHFFFAOYSA-N
XLogP1.37
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate 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

(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
CID 11334130
(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 154824711
(2,5-dioxopyrrolidin-1-yl) 3-bromopyridine-2-carboxylate
CID 172647201
(2,5-dioxopyrrolidin-1-yl) 1-methylimidazole-4-carboxylate
CID 101239643
(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
CID 154824703
(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate
CID 139948431
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) 1-methylpyrazole-4-carboxylate
CID 155920798
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
(2,5-dioxopyrrolidin-1-yl) isoquinoline-5-carboxylate
CID 122221270
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate (CID 172647195) is (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate is Cc1nc(C(=O)ON2C(=O)CCC2=O)ccc1Br.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate?
The InChIKey is CAMXWRKEUKEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4/c1-6-7(12)2-3-8(13-6)11(17)18-14-9(15)4-5-10(14)16/h2-3H,4-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate has a molecular weight of 313.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 172647195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).