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

C10H14BrN — CID 119091462

IUPAC3-bromo-6-tert-butyl-2-methylpyridine
SMILESCc1nc(C(C)(C)C)ccc1Br
InChIInChI=1S/C10H14BrN/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-6H,1-4H3
InChIKeyUFQHPDRNPLRIQJ-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.45
Rot. Bonds

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

3-bromo-6-tert-butyl-2-methylpyridine (PubChem CID 119091462) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 3-bromo-6-tert-butyl-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-6-tert-butyl-2-methylpyridine
PubChem CID119091462
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name3-bromo-6-tert-butyl-2-methylpyridine
SMILESCc1nc(C(C)(C)C)ccc1Br
InChIInChI=1S/C10H14BrN/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-6H,1-4H3
InChIKeyUFQHPDRNPLRIQJ-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

Analyze 3-bromo-6-tert-butyl-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-tert-butyl-2-methylpyridine?
The IUPAC name of 3-bromo-6-tert-butyl-2-methylpyridine (CID 119091462) is 3-bromo-6-tert-butyl-2-methylpyridine.
What is the SMILES notation for 3-bromo-6-tert-butyl-2-methylpyridine?
The canonical SMILES for 3-bromo-6-tert-butyl-2-methylpyridine is Cc1nc(C(C)(C)C)ccc1Br.
What is the InChIKey of 3-bromo-6-tert-butyl-2-methylpyridine?
The InChIKey is UFQHPDRNPLRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 3-bromo-6-tert-butyl-2-methylpyridine?
3-bromo-6-tert-butyl-2-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 3-bromo-6-tert-butyl-2-methylpyridine is sourced from PubChem (CID 119091462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).