2-bromo-6-tert-butylpyridine

C9H12BrN — CID 22113415

IUPAC2-bromo-6-tert-butylpyridine
SMILESCC(C)(C)c1cccc(Br)n1
InChIInChI=1S/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKeyQMVOIXCANJLTGO-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.14
Rot. Bonds

About 2-bromo-6-tert-butylpyridine

2-bromo-6-tert-butylpyridine (PubChem CID 22113415) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-bromo-6-tert-butylpyridine.

Molecular Properties

Compound Name2-bromo-6-tert-butylpyridine
PubChem CID22113415
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-bromo-6-tert-butylpyridine
SMILESCC(C)(C)c1cccc(Br)n1
InChIInChI=1S/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKeyQMVOIXCANJLTGO-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.14
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-6-tert-butylpyridine?
The IUPAC name of 2-bromo-6-tert-butylpyridine (CID 22113415) is 2-bromo-6-tert-butylpyridine.
What is the SMILES notation for 2-bromo-6-tert-butylpyridine?
The canonical SMILES for 2-bromo-6-tert-butylpyridine is CC(C)(C)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-tert-butylpyridine?
The InChIKey is QMVOIXCANJLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3.
What are the key properties of 2-bromo-6-tert-butylpyridine?
2-bromo-6-tert-butylpyridine has a molecular weight of 214.11 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butylpyridine is sourced from PubChem (CID 22113415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).