5-bromo-2,3-dimethylpyridine

C7H8BrN — CID 11446762

IUPAC5-bromo-2,3-dimethylpyridine
SMILESCc1cc(Br)cnc1C
InChIInChI=1S/C7H8BrN/c1-5-3-7(8)4-9-6(5)2/h3-4H,1-2H3
InChIKeyPVWAMZCIAHXKJP-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.46
Rot. Bonds

About 5-bromo-2,3-dimethylpyridine

5-bromo-2,3-dimethylpyridine (PubChem CID 11446762) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylpyridine.

Molecular Properties

Compound Name5-bromo-2,3-dimethylpyridine
PubChem CID11446762
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name5-bromo-2,3-dimethylpyridine
SMILESCc1cc(Br)cnc1C
InChIInChI=1S/C7H8BrN/c1-5-3-7(8)4-9-6(5)2/h3-4H,1-2H3
InChIKeyPVWAMZCIAHXKJP-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2,3-dimethylpyridine 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-2,3-dimethylpyridine?
The IUPAC name of 5-bromo-2,3-dimethylpyridine (CID 11446762) is 5-bromo-2,3-dimethylpyridine.
What is the SMILES notation for 5-bromo-2,3-dimethylpyridine?
The canonical SMILES for 5-bromo-2,3-dimethylpyridine is Cc1cc(Br)cnc1C.
What is the InChIKey of 5-bromo-2,3-dimethylpyridine?
The InChIKey is PVWAMZCIAHXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-5-3-7(8)4-9-6(5)2/h3-4H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethylpyridine?
5-bromo-2,3-dimethylpyridine has a molecular weight of 186.05 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylpyridine is sourced from PubChem (CID 11446762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).