2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine

C11H12BrN — CID 172993557

IUPAC2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
SMILESCC12CC(c3ccc(Br)nc3)(C1)C2
InChIInChI=1S/C11H12BrN/c1-10-5-11(6-10,7-10)8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3
InChIKeyVNHGBTLPBNGQBR-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.29
Rot. Bonds1

About 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine

2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine (PubChem CID 172993557) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
PubChem CID172993557
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
SMILESCC12CC(c3ccc(Br)nc3)(C1)C2
InChIInChI=1S/C11H12BrN/c1-10-5-11(6-10,7-10)8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3
InChIKeyVNHGBTLPBNGQBR-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)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 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The IUPAC name of 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine (CID 172993557) is 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine.
What is the SMILES notation for 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The canonical SMILES for 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine is CC12CC(c3ccc(Br)nc3)(C1)C2.
What is the InChIKey of 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
The InChIKey is VNHGBTLPBNGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-10-5-11(6-10,7-10)8-2-3-9(12)13-4-8/h2-4H,5-7H2,1H3.
What are the key properties of 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine?
2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine has a molecular weight of 238.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine is sourced from PubChem (CID 172993557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).