2-bromo-6-(4-methyl-3-pyridinyl)pyridine

C11H9BrN2 — CID 66273601

IUPAC2-bromo-6-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1cccc(Br)n1
InChIInChI=1S/C11H9BrN2/c1-8-5-6-13-7-9(8)10-3-2-4-11(12)14-10/h2-7H,1H3
InChIKeyPWFHKZFTIAQGNE-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

About 2-bromo-6-(4-methyl-3-pyridinyl)pyridine

2-bromo-6-(4-methyl-3-pyridinyl)pyridine (PubChem CID 66273601) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-bromo-6-(4-methyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-methyl-3-pyridinyl)pyridine
PubChem CID66273601
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-bromo-6-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1cccc(Br)n1
InChIInChI=1S/C11H9BrN2/c1-8-5-6-13-7-9(8)10-3-2-4-11(12)14-10/h2-7H,1H3
InChIKeyPWFHKZFTIAQGNE-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.21
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-(4-methyl-3-pyridinyl)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 2-bromo-6-(4-methyl-3-pyridinyl)pyridine?
The IUPAC name of 2-bromo-6-(4-methyl-3-pyridinyl)pyridine (CID 66273601) is 2-bromo-6-(4-methyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-bromo-6-(4-methyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-bromo-6-(4-methyl-3-pyridinyl)pyridine is Cc1ccncc1-c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(4-methyl-3-pyridinyl)pyridine?
The InChIKey is PWFHKZFTIAQGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-5-6-13-7-9(8)10-3-2-4-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-bromo-6-(4-methyl-3-pyridinyl)pyridine?
2-bromo-6-(4-methyl-3-pyridinyl)pyridine has a molecular weight of 249.11 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 66273601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).