2-(bromomethyl)-4,6-dimethylpyridine

C8H10BrN — CID 22280405

IUPAC2-(bromomethyl)-4,6-dimethylpyridine
SMILESCc1cc(C)nc(CBr)c1
InChIInChI=1S/C8H10BrN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3
InChIKeyJTBPXUPRFVPPTM-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.59
Rot. Bonds1

About 2-(bromomethyl)-4,6-dimethylpyridine

2-(bromomethyl)-4,6-dimethylpyridine (PubChem CID 22280405) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-(bromomethyl)-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-4,6-dimethylpyridine
PubChem CID22280405
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-(bromomethyl)-4,6-dimethylpyridine
SMILESCc1cc(C)nc(CBr)c1
InChIInChI=1S/C8H10BrN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3
InChIKeyJTBPXUPRFVPPTM-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.59
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)-4,6-dimethylpyridine?
The IUPAC name of 2-(bromomethyl)-4,6-dimethylpyridine (CID 22280405) is 2-(bromomethyl)-4,6-dimethylpyridine.
What is the SMILES notation for 2-(bromomethyl)-4,6-dimethylpyridine?
The canonical SMILES for 2-(bromomethyl)-4,6-dimethylpyridine is Cc1cc(C)nc(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4,6-dimethylpyridine?
The InChIKey is JTBPXUPRFVPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4,6-dimethylpyridine?
2-(bromomethyl)-4,6-dimethylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4,6-dimethylpyridine is sourced from PubChem (CID 22280405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).