3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine

C207H300BrCl2F4N21O4 — CID 161477449

About 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 161477449) has the molecular formula C207H300BrCl2F4N21O4 and a molecular weight of 3373.62 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine
• PubChem CID: 161477449
• Molecular Formula: C207H300BrCl2F4N21O4
• Molecular Weight: 3373.62 g/mol
• Exact Mass: 3369.24
• IUPAC Name: 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-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(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(Cl)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.COc1cc(C(C)(C)C)ccn1.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
• InChI: InChI=1S/C11H17NO.C11H17N.C11H15N.C11H17N.C10H12F3N.3C10H15NO.6C10H15N.C9H12BrN.2C9H12ClN.C9H12FN.3C9H13N/c1-5-13-10-8-6-7-9(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)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;2*1-9(2,3)7-4-8(10)6-11-5-7;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)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3;6*5-7H,1-4H3;4*4-6H,1-3H3;3*4-7H,1-3H3
• InChIKey: WDXBNWFMZFWXQG-UHFFFAOYSA-N
• XLogP: 56.71
• TPSA: 318.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3373.62
LogP ≤ 5	56.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The IUPAC name of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine (CID 161477449) is 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-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;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-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(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(Cl)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.COc1cc(C(C)(C)C)ccn1.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C.

What is the InChIKey of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

The InChIKey is WDXBNWFMZFWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C11H17N.C11H15N.C11H17N.C10H12F3N.3C10H15NO.6C10H15N.C9H12BrN.2C9H12ClN.C9H12FN.3C9H13N/c1-5-13-10-8-6-7-9(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)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;2*1-9(2,3)7-4-8(10)6-11-5-7;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)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3;6*5-7H,1-4H3;4*4-6H,1-3H3;3*4-7H,1-3H3.

What are the key properties of 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine?

3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 3373.62 g/mol, XLogP of 56.71, 8 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butylpyridine;2-tert-butyl-6-chloropyridine;3-tert-butyl-5-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;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161477449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).