6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine

C12H14BrN3 — CID 147916716

IUPAC6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2ccc3ccc(Br)nc32)C1
InChIInChI=1S/C12H14BrN3/c1-15-6-5-10(8-15)16-7-4-9-2-3-11(13)14-12(9)16/h2-4,7,10H,5-6,8H2,1H3
InChIKeyIHFDRDYFCSUHLX-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.68
Rot. Bonds1

About 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine

6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 147916716) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID147916716
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2ccc3ccc(Br)nc32)C1
InChIInChI=1S/C12H14BrN3/c1-15-6-5-10(8-15)16-7-4-9-2-3-11(13)14-12(9)16/h2-4,7,10H,5-6,8H2,1H3
InChIKeyIHFDRDYFCSUHLX-UHFFFAOYSA-N
XLogP2.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-1-(1-methylpyrrolidin-3-yl)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 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine (CID 147916716) is 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine is CN1CCC(n2ccc3ccc(Br)nc32)C1.
What is the InChIKey of 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is IHFDRDYFCSUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-15-6-5-10(8-15)16-7-4-9-2-3-11(13)14-12(9)16/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 147916716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).