2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine

C13H18BrNO3 — CID 178150765

IUPAC2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESCc1cc(OCCOC2CCCCO2)cnc1Br
InChIInChI=1S/C13H18BrNO3/c1-10-8-11(9-15-13(10)14)16-6-7-18-12-4-2-3-5-17-12/h8-9,12H,2-7H2,1H3
InChIKeyJKRXTUQNSIRJFG-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.07
Rot. Bonds5

About 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine

2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine (PubChem CID 178150765) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
PubChem CID178150765
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESCc1cc(OCCOC2CCCCO2)cnc1Br
InChIInChI=1S/C13H18BrNO3/c1-10-8-11(9-15-13(10)14)16-6-7-18-12-4-2-3-5-17-12/h8-9,12H,2-7H2,1H3
InChIKeyJKRXTUQNSIRJFG-UHFFFAOYSA-N
XLogP3.07
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
CID 99799558
2-(2-phenoxyethoxy)oxane
CID 11736193
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
5-bromo-1,3-dimethyl-7-[2-(oxan-2-yloxy)ethoxy]quinolin-2-one
CID 162753628
2-bromo-4-[2-(oxan-2-yloxy)ethoxy]benzonitrile
CID 177043004
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
CID 71107276
CID 71107276
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
4-bromo-2,5-dimethyl-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 118496621
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
CID 143637417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine?
The IUPAC name of 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine (CID 178150765) is 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine.
What is the SMILES notation for 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine?
The canonical SMILES for 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine is Cc1cc(OCCOC2CCCCO2)cnc1Br.
What is the InChIKey of 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine?
The InChIKey is JKRXTUQNSIRJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10-8-11(9-15-13(10)14)16-6-7-18-12-4-2-3-5-17-12/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine?
2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine has a molecular weight of 316.19 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine is sourced from PubChem (CID 178150765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).