2-bromo-3-tert-butyl-6-methylpyridine

C10H14BrN — CID 162468715

IUPAC2-bromo-3-tert-butyl-6-methylpyridine
SMILESCc1ccc(C(C)(C)C)c(Br)n1
InChIInChI=1S/C10H14BrN/c1-7-5-6-8(9(11)12-7)10(2,3)4/h5-6H,1-4H3
InChIKeyXNNRFOVLDCEATE-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.45
Rot. Bonds

About 2-bromo-3-tert-butyl-6-methylpyridine

2-bromo-3-tert-butyl-6-methylpyridine (PubChem CID 162468715) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-3-tert-butyl-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-tert-butyl-6-methylpyridine
PubChem CID162468715
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-3-tert-butyl-6-methylpyridine
SMILESCc1ccc(C(C)(C)C)c(Br)n1
InChIInChI=1S/C10H14BrN/c1-7-5-6-8(9(11)12-7)10(2,3)4/h5-6H,1-4H3
InChIKeyXNNRFOVLDCEATE-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.45
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-3-tert-butyl-6-methylpyridine?
The IUPAC name of 2-bromo-3-tert-butyl-6-methylpyridine (CID 162468715) is 2-bromo-3-tert-butyl-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-tert-butyl-6-methylpyridine?
The canonical SMILES for 2-bromo-3-tert-butyl-6-methylpyridine is Cc1ccc(C(C)(C)C)c(Br)n1.
What is the InChIKey of 2-bromo-3-tert-butyl-6-methylpyridine?
The InChIKey is XNNRFOVLDCEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-5-6-8(9(11)12-7)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-bromo-3-tert-butyl-6-methylpyridine?
2-bromo-3-tert-butyl-6-methylpyridine has a molecular weight of 228.13 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-tert-butyl-6-methylpyridine is sourced from PubChem (CID 162468715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).