4-(bromomethyl)-2,6-ditert-butylpyridine

C14H22BrN — CID 12930888

IUPAC4-(bromomethyl)-2,6-ditert-butylpyridine
SMILESCC(C)(C)c1cc(CBr)cc(C(C)(C)C)n1
InChIInChI=1S/C14H22BrN/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8H,9H2,1-6H3
InChIKeyKRGQGAXLBUQGQP-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.57
Rot. Bonds1

About 4-(bromomethyl)-2,6-ditert-butylpyridine

4-(bromomethyl)-2,6-ditert-butylpyridine (PubChem CID 12930888) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(bromomethyl)-2,6-ditert-butylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2,6-ditert-butylpyridine
PubChem CID12930888
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name4-(bromomethyl)-2,6-ditert-butylpyridine
SMILESCC(C)(C)c1cc(CBr)cc(C(C)(C)C)n1
InChIInChI=1S/C14H22BrN/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8H,9H2,1-6H3
InChIKeyKRGQGAXLBUQGQP-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.57
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 4-(bromomethyl)-2,6-ditert-butylpyridine?
The IUPAC name of 4-(bromomethyl)-2,6-ditert-butylpyridine (CID 12930888) is 4-(bromomethyl)-2,6-ditert-butylpyridine.
What is the SMILES notation for 4-(bromomethyl)-2,6-ditert-butylpyridine?
The canonical SMILES for 4-(bromomethyl)-2,6-ditert-butylpyridine is CC(C)(C)c1cc(CBr)cc(C(C)(C)C)n1.
What is the InChIKey of 4-(bromomethyl)-2,6-ditert-butylpyridine?
The InChIKey is KRGQGAXLBUQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8H,9H2,1-6H3.
What are the key properties of 4-(bromomethyl)-2,6-ditert-butylpyridine?
4-(bromomethyl)-2,6-ditert-butylpyridine has a molecular weight of 284.24 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,6-ditert-butylpyridine is sourced from PubChem (CID 12930888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).