2,6-bis(bromomethyl)-4-methylpyridine

C8H9Br2N — CID 119092321

IUPAC2,6-bis(bromomethyl)-4-methylpyridine
SMILESCc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C8H9Br2N/c1-6-2-7(4-9)11-8(3-6)5-10/h2-3H,4-5H2,1H3
InChIKeyYYOJFQJSDXYHQC-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.18
Rot. Bonds2

About 2,6-bis(bromomethyl)-4-methylpyridine

2,6-bis(bromomethyl)-4-methylpyridine (PubChem CID 119092321) has the molecular formula C8H9Br2N and a molecular weight of 278.98 g/mol. Its IUPAC name is 2,6-bis(bromomethyl)-4-methylpyridine.

Molecular Properties

Compound Name2,6-bis(bromomethyl)-4-methylpyridine
PubChem CID119092321
Molecular FormulaC8H9Br2N
Molecular Weight278.98 g/mol
Exact Mass276.91
IUPAC Name2,6-bis(bromomethyl)-4-methylpyridine
SMILESCc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C8H9Br2N/c1-6-2-7(4-9)11-8(3-6)5-10/h2-3H,4-5H2,1H3
InChIKeyYYOJFQJSDXYHQC-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.18
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 2,6-bis(bromomethyl)-4-methylpyridine?
The IUPAC name of 2,6-bis(bromomethyl)-4-methylpyridine (CID 119092321) is 2,6-bis(bromomethyl)-4-methylpyridine.
What is the SMILES notation for 2,6-bis(bromomethyl)-4-methylpyridine?
The canonical SMILES for 2,6-bis(bromomethyl)-4-methylpyridine is Cc1cc(CBr)nc(CBr)c1.
What is the InChIKey of 2,6-bis(bromomethyl)-4-methylpyridine?
The InChIKey is YYOJFQJSDXYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c1-6-2-7(4-9)11-8(3-6)5-10/h2-3H,4-5H2,1H3.
What are the key properties of 2,6-bis(bromomethyl)-4-methylpyridine?
2,6-bis(bromomethyl)-4-methylpyridine has a molecular weight of 278.98 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(bromomethyl)-4-methylpyridine is sourced from PubChem (CID 119092321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).