2-bromo-3,6-dimethylpyridine

C7H8BrN — CID 14003067

IUPAC2-bromo-3,6-dimethylpyridine
SMILESCc1ccc(C)c(Br)n1
InChIInChI=1S/C7H8BrN/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3
InChIKeyBKLNQHXCFLTIJA-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.46
Rot. Bonds

About 2-bromo-3,6-dimethylpyridine

2-bromo-3,6-dimethylpyridine (PubChem CID 14003067) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 2-bromo-3,6-dimethylpyridine.

Molecular Properties

Compound Name2-bromo-3,6-dimethylpyridine
PubChem CID14003067
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name2-bromo-3,6-dimethylpyridine
SMILESCc1ccc(C)c(Br)n1
InChIInChI=1S/C7H8BrN/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3
InChIKeyBKLNQHXCFLTIJA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-dimethylpyridine?
The IUPAC name of 2-bromo-3,6-dimethylpyridine (CID 14003067) is 2-bromo-3,6-dimethylpyridine.
What is the SMILES notation for 2-bromo-3,6-dimethylpyridine?
The canonical SMILES for 2-bromo-3,6-dimethylpyridine is Cc1ccc(C)c(Br)n1.
What is the InChIKey of 2-bromo-3,6-dimethylpyridine?
The InChIKey is BKLNQHXCFLTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3.
What are the key properties of 2-bromo-3,6-dimethylpyridine?
2-bromo-3,6-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 2-bromo-3,6-dimethylpyridine is sourced from PubChem (CID 14003067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).