2-bromo-6-(2,3-dimethylphenoxy)pyridine

C13H12BrNO — CID 63961920

IUPAC2-bromo-6-(2,3-dimethylphenoxy)pyridine
SMILESCc1cccc(Oc2cccc(Br)n2)c1C
InChIInChI=1S/C13H12BrNO/c1-9-5-3-6-11(10(9)2)16-13-8-4-7-12(14)15-13/h3-8H,1-2H3
InChIKeyISFQJEKCGMDXRM-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.25
Rot. Bonds2

About 2-bromo-6-(2,3-dimethylphenoxy)pyridine

2-bromo-6-(2,3-dimethylphenoxy)pyridine (PubChem CID 63961920) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-6-(2,3-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2,3-dimethylphenoxy)pyridine
PubChem CID63961920
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-6-(2,3-dimethylphenoxy)pyridine
SMILESCc1cccc(Oc2cccc(Br)n2)c1C
InChIInChI=1S/C13H12BrNO/c1-9-5-3-6-11(10(9)2)16-13-8-4-7-12(14)15-13/h3-8H,1-2H3
InChIKeyISFQJEKCGMDXRM-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(2,3-dimethylphenoxy)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-bromo-6-(2-iodophenoxy)pyridine
CID 63962345
4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
CID 18736651
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
2-bromo-6-(2-fluoro-5-methylphenoxy)pyridine
CID 64856365
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
6-(2,3-dimethylphenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43262022
6-(2,3-dimethylphenoxy)-N-methylpyrimidin-4-amine
CID 80864261

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,3-dimethylphenoxy)pyridine?
The IUPAC name of 2-bromo-6-(2,3-dimethylphenoxy)pyridine (CID 63961920) is 2-bromo-6-(2,3-dimethylphenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(2,3-dimethylphenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(2,3-dimethylphenoxy)pyridine is Cc1cccc(Oc2cccc(Br)n2)c1C.
What is the InChIKey of 2-bromo-6-(2,3-dimethylphenoxy)pyridine?
The InChIKey is ISFQJEKCGMDXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-5-3-6-11(10(9)2)16-13-8-4-7-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 2-bromo-6-(2,3-dimethylphenoxy)pyridine?
2-bromo-6-(2,3-dimethylphenoxy)pyridine has a molecular weight of 278.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,3-dimethylphenoxy)pyridine is sourced from PubChem (CID 63961920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).