2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile

C9H7BrN2 — CID 130115210

IUPAC2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile
SMILESN#CC1CCc2nc(Br)ccc21
InChIInChI=1S/C9H7BrN2/c10-9-4-2-7-6(5-11)1-3-8(7)12-9/h2,4,6H,1,3H2
InChIKeyIWHGPAFICJGNCB-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.40
Rot. Bonds

About 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile

2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile (PubChem CID 130115210) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile
PubChem CID130115210
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile
SMILESN#CC1CCc2nc(Br)ccc21
InChIInChI=1S/C9H7BrN2/c10-9-4-2-7-6(5-11)1-3-8(7)12-9/h2,4,6H,1,3H2
InChIKeyIWHGPAFICJGNCB-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile 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 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile?
The IUPAC name of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile (CID 130115210) is 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile?
The canonical SMILES for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile is N#CC1CCc2nc(Br)ccc21.
What is the InChIKey of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile?
The InChIKey is IWHGPAFICJGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-9-4-2-7-6(5-11)1-3-8(7)12-9/h2,4,6H,1,3H2.
What are the key properties of 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile?
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile has a molecular weight of 223.07 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-5-carbonitrile is sourced from PubChem (CID 130115210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).