2-bromo-5-(4-methoxyphenyl)-4-methylpyridine

C13H12BrNO — CID 12051001

IUPAC2-bromo-5-(4-methoxyphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cnc(Br)cc2C)cc1
InChIInChI=1S/C13H12BrNO/c1-9-7-13(14)15-8-12(9)10-3-5-11(16-2)6-4-10/h3-8H,1-2H3
InChIKeyKTYJJYQFKDEJSP-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.83
Rot. Bonds2

About 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine

2-bromo-5-(4-methoxyphenyl)-4-methylpyridine (PubChem CID 12051001) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-(4-methoxyphenyl)-4-methylpyridine
PubChem CID12051001
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-5-(4-methoxyphenyl)-4-methylpyridine
SMILESCOc1ccc(-c2cnc(Br)cc2C)cc1
InChIInChI=1S/C13H12BrNO/c1-9-7-13(14)15-8-12(9)10-3-5-11(16-2)6-4-10/h3-8H,1-2H3
InChIKeyKTYJJYQFKDEJSP-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-(4-methoxyphenyl)-4-methylpyridine 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-(4-methoxyphenyl)-4-methylpyridine?
The IUPAC name of 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine (CID 12051001) is 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine.
What is the SMILES notation for 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine?
The canonical SMILES for 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine is COc1ccc(-c2cnc(Br)cc2C)cc1.
What is the InChIKey of 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine?
The InChIKey is KTYJJYQFKDEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-7-13(14)15-8-12(9)10-3-5-11(16-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine?
2-bromo-5-(4-methoxyphenyl)-4-methylpyridine has a molecular weight of 278.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methoxyphenyl)-4-methylpyridine is sourced from PubChem (CID 12051001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).