4-bromo-2-(oxan-4-yl)pyridine

C10H12BrNO — CID 66520247

IUPAC4-bromo-2-(oxan-4-yl)pyridine
SMILESBrc1ccnc(C2CCOCC2)c1
InChIInChI=1S/C10H12BrNO/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyGMNOLLRJEWMQSS-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.74
Rot. Bonds1

About 4-bromo-2-(oxan-4-yl)pyridine

4-bromo-2-(oxan-4-yl)pyridine (PubChem CID 66520247) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-2-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(oxan-4-yl)pyridine
PubChem CID66520247
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-2-(oxan-4-yl)pyridine
SMILESBrc1ccnc(C2CCOCC2)c1
InChIInChI=1S/C10H12BrNO/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyGMNOLLRJEWMQSS-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(oxan-4-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 4-bromo-2-(oxan-4-yl)pyridine?
The IUPAC name of 4-bromo-2-(oxan-4-yl)pyridine (CID 66520247) is 4-bromo-2-(oxan-4-yl)pyridine.
What is the SMILES notation for 4-bromo-2-(oxan-4-yl)pyridine?
The canonical SMILES for 4-bromo-2-(oxan-4-yl)pyridine is Brc1ccnc(C2CCOCC2)c1.
What is the InChIKey of 4-bromo-2-(oxan-4-yl)pyridine?
The InChIKey is GMNOLLRJEWMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2.
What are the key properties of 4-bromo-2-(oxan-4-yl)pyridine?
4-bromo-2-(oxan-4-yl)pyridine has a molecular weight of 242.12 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(oxan-4-yl)pyridine is sourced from PubChem (CID 66520247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).