5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine

C9H10BrNO2 — CID 102607188

IUPAC5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
SMILESCc1cc(Br)cnc1OC1COC1
InChIInChI=1S/C9H10BrNO2/c1-6-2-7(10)3-11-9(6)13-8-4-12-5-8/h2-3,8H,4-5H2,1H3
InChIKeyMOLQSQJTXFKRQB-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.93
Rot. Bonds2

About 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine

5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine (PubChem CID 102607188) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
PubChem CID102607188
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
SMILESCc1cc(Br)cnc1OC1COC1
InChIInChI=1S/C9H10BrNO2/c1-6-2-7(10)3-11-9(6)13-8-4-12-5-8/h2-3,8H,4-5H2,1H3
InChIKeyMOLQSQJTXFKRQB-UHFFFAOYSA-N
XLogP1.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-methyl-2-(oxetan-3-yloxy)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 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine (CID 102607188) is 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine is Cc1cc(Br)cnc1OC1COC1.
What is the InChIKey of 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine?
The InChIKey is MOLQSQJTXFKRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6-2-7(10)3-11-9(6)13-8-4-12-5-8/h2-3,8H,4-5H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine?
5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine has a molecular weight of 244.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine is sourced from PubChem (CID 102607188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).