2-bromo-5-(oxolan-2-yl)pyridine

C9H10BrNO — CID 66521193

IUPAC2-bromo-5-(oxolan-2-yl)pyridine
SMILESBrc1ccc(C2CCCO2)cn1
InChIInChI=1S/C9H10BrNO/c10-9-4-3-7(6-11-9)8-2-1-5-12-8/h3-4,6,8H,1-2,5H2
InChIKeyIMUGUKIDMITIQE-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.70
Rot. Bonds1

About 2-bromo-5-(oxolan-2-yl)pyridine

2-bromo-5-(oxolan-2-yl)pyridine (PubChem CID 66521193) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-5-(oxolan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(oxolan-2-yl)pyridine
PubChem CID66521193
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-bromo-5-(oxolan-2-yl)pyridine
SMILESBrc1ccc(C2CCCO2)cn1
InChIInChI=1S/C9H10BrNO/c10-9-4-3-7(6-11-9)8-2-1-5-12-8/h3-4,6,8H,1-2,5H2
InChIKeyIMUGUKIDMITIQE-UHFFFAOYSA-N
XLogP2.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(oxolan-2-yl)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-(oxolan-2-yl)pyridine?
The IUPAC name of 2-bromo-5-(oxolan-2-yl)pyridine (CID 66521193) is 2-bromo-5-(oxolan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-5-(oxolan-2-yl)pyridine?
The canonical SMILES for 2-bromo-5-(oxolan-2-yl)pyridine is Brc1ccc(C2CCCO2)cn1.
What is the InChIKey of 2-bromo-5-(oxolan-2-yl)pyridine?
The InChIKey is IMUGUKIDMITIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-9-4-3-7(6-11-9)8-2-1-5-12-8/h3-4,6,8H,1-2,5H2.
What are the key properties of 2-bromo-5-(oxolan-2-yl)pyridine?
2-bromo-5-(oxolan-2-yl)pyridine has a molecular weight of 228.09 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxolan-2-yl)pyridine is sourced from PubChem (CID 66521193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).