4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine

C7H4BrN3O2 — CID 24729562

IUPAC4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2nccc(Br)c12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10)
InChIKeyBEPFGDZUAZYOHN-UHFFFAOYSA-N
MW242.03 g/mol
LogP2.23
Rot. Bonds1

About 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine

4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24729562) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID24729562
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2nccc(Br)c12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10)
InChIKeyBEPFGDZUAZYOHN-UHFFFAOYSA-N
XLogP2.23
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (CID 24729562) is 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine is O=[N+]([O-])c1c[nH]c2nccc(Br)c12.
What is the InChIKey of 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BEPFGDZUAZYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10).
What are the key properties of 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 242.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24729562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).