2-(bromomethyl)-6-methylpyridine

C7H8BrN — CID 12543733

IUPAC2-(bromomethyl)-6-methylpyridine
SMILESCc1cccc(CBr)n1
InChIInChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
InChIKeyWJFDCFHWFHCLIW-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.28
Rot. Bonds1

About 2-(bromomethyl)-6-methylpyridine

2-(bromomethyl)-6-methylpyridine (PubChem CID 12543733) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methylpyridine
PubChem CID12543733
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name2-(bromomethyl)-6-methylpyridine
SMILESCc1cccc(CBr)n1
InChIInChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
InChIKeyWJFDCFHWFHCLIW-UHFFFAOYSA-N
XLogP2.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-6-methylpyridine (CID 12543733) is 2-(bromomethyl)-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-6-methylpyridine is Cc1cccc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methylpyridine?
The InChIKey is WJFDCFHWFHCLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methylpyridine?
2-(bromomethyl)-6-methylpyridine has a molecular weight of 186.05 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methylpyridine is sourced from PubChem (CID 12543733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).