3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine

C134H186BrCl2F4N13O2 — CID 159432404

About 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine

3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 159432404) has the molecular formula C134H186BrCl2F4N13O2 and a molecular weight of 2237.85 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine
• PubChem CID: 159432404
• Molecular Formula: C134H186BrCl2F4N13O2
• Molecular Weight: 2237.85 g/mol
• Exact Mass: 2234.33
• IUPAC Name: 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine
• SMILES: C=Cc1cncc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(F)c1.CCOc1cccc(C(C)(C)C)n1.CCc1cccc(C(C)(C)C)n1.CCc1cncc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
• InChI: InChI=1S/C15H17N.C11H17NO.C11H17N.C11H15N.C11H17N.C10H12F3N.C10H15NO.C10H15N.C9H12BrN.2C9H12ClN.C9H12FN.C9H13N/c1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;1-5-13-10-8-6-7-9(12-10)11(2,3)4;2*1-5-9-6-10(8-12-7-9)11(2,3)4;1-5-9-7-6-8-10(12-9)11(2,3)4;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-6-4-5-7-10-8/h4-11H,1-3H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4*4-6H,1-3H3;4-7H,1-3H3
• InChIKey: LRDNXZJTOFZSGB-UHFFFAOYSA-N
• XLogP: 37.79
• TPSA: 197.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.85
LogP ≤ 5	37.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The IUPAC name of 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine (CID 159432404) is 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine is C=Cc1cncc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(F)c1.CCOc1cccc(C(C)(C)C)n1.CCc1cccc(C(C)(C)C)n1.CCc1cncc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The InChIKey is LRDNXZJTOFZSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C11H17NO.C11H17N.C11H15N.C11H17N.C10H12F3N.C10H15NO.C10H15N.C9H12BrN.2C9H12ClN.C9H12FN.C9H13N/c1-15(2,3)14-11-7-10-13(16-14)12-8-5-4-6-9-12;1-5-13-10-8-6-7-9(12-10)11(2,3)4;2*1-5-9-6-10(8-12-7-9)11(2,3)4;1-5-9-7-6-8-10(12-9)11(2,3)4;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-6-4-5-7-10-8/h4-11H,1-3H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4*4-6H,1-3H3;4-7H,1-3H3.

What are the key properties of 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 2237.85 g/mol, XLogP of 37.79, 7 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butylpyridine;bis(2-tert-butyl-6-chloropyridine);3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;2-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159432404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).