3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol

C198H293Br2ClN20O6 — CID 160767826

About 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol

3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol (PubChem CID 160767826) has the molecular formula C198H293Br2ClN20O6 and a molecular weight of 3244.92 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol.

Molecular Properties

• Compound Name: 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol
• PubChem CID: 160767826
• Molecular Formula: C198H293Br2ClN20O6
• Molecular Weight: 3244.92 g/mol
• Exact Mass: 3240.13
• IUPAC Name: 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol
• SMILES: CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1N.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CC(C)(C)c1ncccc1N.CCCc1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1cccc(C(C)(C)C)c1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cnccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C12H19N.C11H16O.C11H16.5C10H15NO.6C10H15N.C9H11BrClN.C9H12BrN.2C9H14N2.2C9H13N/c1-5-6-11-8-7-10(9-13-11)12(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-6-11-7-9(8)12-4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-7-9(5-6-11-8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8/h7-9H,5-6H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4*5-7H,1-4H3;4-6,12H,7H2,1-3H3;6*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,10H2,1-3H3;2*4-7H,1-3H3
• InChIKey: RYXLAYGZGMQWNR-UHFFFAOYSA-N
• XLogP: 52.78
• TPSA: 350.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 8
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3244.92
LogP ≤ 5	52.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

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-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol?

The IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol (CID 160767826) is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol.

What is the SMILES notation for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol?

The canonical SMILES for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol is CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1N.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CC(C)(C)c1ncccc1N.CCCc1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1cccc(C(C)(C)C)c1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cnccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol?

The InChIKey is RYXLAYGZGMQWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H16O.C11H16.5C10H15NO.6C10H15N.C9H11BrClN.C9H12BrN.2C9H14N2.2C9H13N/c1-5-6-11-8-7-10(9-13-11)12(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-6-11-7-9(8)12-4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-7-9(5-6-11-8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8/h7-9H,5-6H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4*5-7H,1-4H3;4-6,12H,7H2,1-3H3;6*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,10H2,1-3H3;2*4-7H,1-3H3.

What are the key properties of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol?

3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol has a molecular weight of 3244.92 g/mol, XLogP of 52.78, 8 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-3-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);4-tert-butyl-2-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-propylpyridine;2-tert-butylpyridin-3-amine;4-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;(3-tert-butyl-4-pyridinyl)methanol is sourced from PubChem (CID 160767826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).