2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine

C84H108Br2Cl2F11N9 — CID 158443990

About 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine

2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 158443990) has the molecular formula C84H108Br2Cl2F11N9 and a molecular weight of 1683.54 g/mol. Its IUPAC name is 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine
• PubChem CID: 158443990
• Molecular Formula: C84H108Br2Cl2F11N9
• Molecular Weight: 1683.54 g/mol
• Exact Mass: 1679.63
• IUPAC Name: 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cc(Br)ccn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1cccc(Br)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/3C10H12F3N.2C9H12BrN.2C9H12ClN.2C9H12FN/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7/h3*4-6H,1-3H3;6*4-6H,1-3H3
• InChIKey: HDDVJPZOTCNNLA-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1683.54
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine (CID 158443990) is 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1cc(Br)ccn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1cccc(Br)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccnc(C(F)(F)F)c1.

What is the InChIKey of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine?

The InChIKey is HDDVJPZOTCNNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H12F3N.2C9H12BrN.2C9H12ClN.2C9H12FN/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7/h3*4-6H,1-3H3;6*4-6H,1-3H3.

What are the key properties of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine?

2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 1683.54 g/mol, XLogP of 27.58, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158443990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).